http://ChemLookup.com Compounds

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CAS RN: 49594-75-4
CAS Name: 4-(4-ethylphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(4-ethylphenyl)-4-oxo-butanoic acid
IUPAC Name: 4-(4-ethylphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(4-ethylphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CCC1=CC=C(C=C1)C(=O)CCC(=O)O
Structure:

---

CAS RN: 35387-93-0
CAS Name: 3-iodo-4-methoxybenzoic acid methyl ester
OPENEYE Name: methyl 3-iodo-4-methoxy-benzoate
IUPAC Name: methyl 3-iodo-4-methoxybenzoate
SYSTEMATIC NAME: methyl 3-iodanyl-4-methoxy-benzoate
MOLECULAR FORMULA: C9H9IO3
MOLECULAR WEIGHT: 292.07043
SMILES: COC1=C(C=C(C=C1)C(=O)OC)I
Structure:

---

CAS RN: 16166-22-6
CAS Name: N-(4-pyrimidinyl)acetamide
OPENEYE Name: N-pyrimidin-4-ylacetamide
IUPAC Name: N-pyrimidin-4-ylacetamide
SYSTEMATIC NAME: N-pyrimidin-4-ylethanamide
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: CC(=O)NC1=NC=NC=C1
Structure:

---

CAS RN: 65433-95-6
CAS Name: 6-quinolinesulfonic acid
OPENEYE Name: quinoline-6-sulfonic acid
IUPAC Name: quinoline-6-sulfonic acid
SYSTEMATIC NAME: quinoline-6-sulfonic acid
MOLECULAR FORMULA: C9H7NO3S
MOLECULAR WEIGHT: 209.22178
SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)N=C1
Structure:

---

CAS RN: 46708-03-6
CAS Name: 2-(1-piperidinyl)quinoline
OPENEYE Name: 2-(1-piperidyl)quinoline
IUPAC Name: 2-piperidin-1-ylquinoline
SYSTEMATIC NAME: 2-piperidin-1-ylquinoline
MOLECULAR FORMULA: C14H16N2
MOLECULAR WEIGHT: 212.29024
SMILES: C1CCN(CC1)C2=NC3=CC=CC=C3C=C2
Structure:

---

CAS RN: 6760-40-3
CAS Name: 1,2-dimethyl-4-quinolinone
OPENEYE Name: 1,2-dimethylquinolin-4-one
IUPAC Name: 1,2-dimethylquinolin-4-one
SYSTEMATIC NAME: 1,2-dimethylquinolin-4-one
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CC1=CC(=O)C2=CC=CC=C2N1C
Structure:

---

CAS RN: 51036-98-7
CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(3,4-dimethylphenyl)-4-oxo-butanoic acid
IUPAC Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC1=C(C=C(C=C1)C(=O)CCC(=O)O)C
Structure:

---

CAS RN: 90565-51-8
CAS Name: 2-butyl-6-methyl-1H-pyrimidin-4-one
OPENEYE Name: 2-butyl-6-methyl-1H-pyrimidin-4-one
IUPAC Name: 2-butyl-6-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-butyl-6-methyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C9H14N2O
MOLECULAR WEIGHT: 166.22026
SMILES: CCCCC1=NC(=O)C=C(N1)C
Structure:

---

CAS RN: 16673-85-1
CAS Name: 6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one
OPENEYE Name: 2-benzyl-6-methyl-1H-pyrimidin-4-one
IUPAC Name: 2-benzyl-6-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CC1=CC(=O)N=C(N1)CC2=CC=CC=C2
Structure:

---

CAS RN: 54093-23-1
CAS Name: 5-bromo-2-chloro-6-methyl-4-pyrimidinamine
OPENEYE Name: 5-bromo-2-chloro-6-methyl-pyrimidin-4-amine
IUPAC Name: 5-bromo-2-chloro-6-methylpyrimidin-4-amine
SYSTEMATIC NAME: 5-bromanyl-2-chloranyl-6-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C5H5BrClN3
MOLECULAR WEIGHT: 222.4703
SMILES: CC1=C(C(=NC(=N1)Cl)N)Br
Structure:

---

CAS RN: 83410-37-1
CAS Name: 5-iodo-2,6-dimethyl-1H-pyrimidin-4-one
OPENEYE Name: 5-iodo-2,6-dimethyl-1H-pyrimidin-4-one
IUPAC Name: 5-iodo-2,6-dimethyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-iodanyl-2,6-dimethyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C6H7IN2O
MOLECULAR WEIGHT: 250.03705
SMILES: CC1=C(C(=O)N=C(N1)C)I
Structure:

---

CAS RN: 92254-27-8
CAS Name: 5-methoxy-2-phenylbenzoic acid
OPENEYE Name: 5-methoxy-2-phenyl-benzoic acid
IUPAC Name: 5-methoxy-2-phenylbenzoic acid
SYSTEMATIC NAME: 5-methoxy-2-phenyl-benzoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: COC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)O
Structure:

---

CAS RN: 64230-53-1
CAS Name: N-methyl-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-methyl-N-[(2-oxoindolin-3-yl)methyl]carbamate
IUPAC Name: ethyl N-methyl-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]carbamate
SYSTEMATIC NAME: ethyl N-methyl-N-[(2-oxidanylidene-1,3-dihydroindol-3-yl)methyl]carbamate
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CCOC(=O)N(C)CC1C2=CC=CC=C2NC1=O
Structure:

---

CAS RN: 64230-55-3
CAS Name: 5-bromospiro[1H-indole-3,6'-oxane]-2,2'-dione
OPENEYE Name: 5-bromospiro[indoline-3,6'-tetrahydropyran]-2,2'-dione
IUPAC Name: 5-bromospiro[1H-indole-3,6'-oxane]-2,2'-dione
SYSTEMATIC NAME: 5-bromanylspiro[1H-indole-3,6'-oxane]-2,2'-dione
MOLECULAR FORMULA: C12H10BrNO3
MOLECULAR WEIGHT: 296.1167
SMILES: C1CC(=O)OC2(C1)C3=C(C=CC(=C3)Br)NC2=O
Structure:

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CAS RN: 64230-54-2
CAS Name: 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3-hydroxy-2-oxo-indolin-3-yl)acetate
IUPAC Name: ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)ethanoate
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CCOC(=O)CC1(C2=CC=CC=C2NC1=O)O
Structure:

---

CAS RN: 64230-50-8
CAS Name: N-methyl-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]acetamide
OPENEYE Name: N-methyl-N-[(2-oxoindolin-3-yl)methyl]acetamide
IUPAC Name: N-methyl-N-[(2-oxo-1,3-dihydroindol-3-yl)methyl]acetamide
SYSTEMATIC NAME: N-methyl-N-[(2-oxidanylidene-1,3-dihydroindol-3-yl)methyl]ethanamide
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC(=O)N(C)CC1C2=CC=CC=C2NC1=O
Structure:

---

CAS RN: 64230-58-6
CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-2-oxo-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-[(1,3-dioxoisoindolin-2-yl)methyl]-2-oxo-indoline-3-carboxylate
IUPAC Name: ethyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-oxidanylidene-1H-indole-3-carboxylate
MOLECULAR FORMULA: C20H16N2O5
MOLECULAR WEIGHT: 364.35144
SMILES: CCOC(=O)C1(C2=CC=CC=C2NC1=O)CN3C(=O)C4=CC=CC=C4C3=O
Structure:

---

CAS RN: 64230-47-3
CAS Name: 2-(3-bromo-2-oxo-1H-indol-3-yl)acetic acid
OPENEYE Name: 2-(3-bromo-2-oxo-indolin-3-yl)acetic acid
IUPAC Name: 2-(3-bromo-2-oxo-1H-indol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(3-bromanyl-2-oxidanylidene-1H-indol-3-yl)ethanoic acid
MOLECULAR FORMULA: C10H8BrNO3
MOLECULAR WEIGHT: 270.07942
SMILES: C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)O)Br
Structure:

---

CAS RN: 64230-57-5
CAS Name: 3-[(4-methylphenyl)sulfonyloxymethyl]-2-oxo-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-oxo-3-(p-tolylsulfonyloxymethyl)indoline-3-carboxylate
IUPAC Name: ethyl 3-[(4-methylphenyl)sulfonyloxymethyl]-2-oxo-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 3-[(4-methylphenyl)sulfonyloxymethyl]-2-oxidanylidene-1H-indole-3-carboxylate
MOLECULAR FORMULA: C19H19NO6S
MOLECULAR WEIGHT: 389.42226
SMILES: CCOC(=O)C1(C2=CC=CC=C2NC1=O)COS(=O)(=O)C3=CC=C(C=C3)C
Structure:

---

CAS RN: 64230-56-4
CAS Name: 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-(hydroxymethyl)-2-oxo-indoline-3-carboxylate
IUPAC Name: ethyl 3-(hydroxymethyl)-2-oxo-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 3-(hydroxymethyl)-2-oxidanylidene-1H-indole-3-carboxylate
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CCOC(=O)C1(C2=CC=CC=C2NC1=O)CO
Structure:

---

CAS RN: 20628-41-5
CAS Name: N-amino-N-methylcarbamic acid methyl ester
OPENEYE Name: methyl N-amino-N-methyl-carbamate
IUPAC Name: methyl N-amino-N-methylcarbamate
SYSTEMATIC NAME: methyl N-azanyl-N-methyl-carbamate
MOLECULAR FORMULA: C3H8N2O2
MOLECULAR WEIGHT: 104.10782
SMILES: CN(C(=O)OC)N
Structure:

---

CAS RN: 31457-72-4
CAS Name: N-(methylamino)carbamic acid methyl ester
OPENEYE Name: methyl N-(methylamino)carbamate
IUPAC Name: methyl N-(methylamino)carbamate
SYSTEMATIC NAME: methyl N-(methylamino)carbamate
MOLECULAR FORMULA: C3H8N2O2
MOLECULAR WEIGHT: 104.10782
SMILES: CNNC(=O)OC
Structure:

---

CAS RN: 26107-10-8
CAS Name: 2-(7-azabicyclo[4.1.0]heptan-7-yl)isoindole-1,3-dione
OPENEYE Name: 2-(7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione
IUPAC Name: 2-(7-azabicyclo[4.1.0]heptan-7-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(7-azabicyclo[4.1.0]heptan-7-yl)isoindole-1,3-dione
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: C1CCC2C(C1)N2N3C(=O)C4=CC=CC=C4C3=O
Structure:

---

CAS RN: 77483-80-8
CAS Name: 2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
OPENEYE Name: 2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
IUPAC Name: 2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
SYSTEMATIC NAME: 2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: C1CC(=O)C2C1C(=O)CC2
Structure:

---

CAS RN: 63569-70-0
CAS Name: 3,6-dioxo-1,2,3a,4,5,6a-hexahydropentalene-2,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 3,6-dioxo-1,2,3a,4,5,6a-hexahydropentalene-2,5-dicarboxylate
IUPAC Name: dimethyl 3,6-dioxo-1,2,3a,4,5,6a-hexahydropentalene-2,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 3,6-bis(oxidanylidene)-1,2,3a,4,5,6a-hexahydropentalene-2,5-dicarboxylate
MOLECULAR FORMULA: C12H14O6
MOLECULAR WEIGHT: 254.23596
SMILES: COC(=O)C1CC2C(C1=O)CC(C2=O)C(=O)OC
Structure:

---

CAS RN: 36122-28-8
CAS Name: 2-methyl-2-phenyl-1-cyclopropanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-2-phenyl-cyclopropanecarboxylate
IUPAC Name: ethyl 2-methyl-2-phenylcyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-2-phenyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CCOC(=O)C1CC1(C)C2=CC=CC=C2
Structure:

---

CAS RN: 53820-86-3
CAS Name: 4-nitrobenzoic acid 1H-inden-1-yl ester
OPENEYE Name: 1H-inden-1-yl 4-nitrobenzoate
IUPAC Name: 1H-inden-1-yl 4-nitrobenzoate
SYSTEMATIC NAME: 1H-inden-1-yl 4-nitrobenzoate
MOLECULAR FORMULA: C16H11NO4
MOLECULAR WEIGHT: 281.26284
SMILES: C1=CC=C2C(C=CC2=C1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:

---

CAS RN: 61463-14-7
CAS Name: 3,5-dinitrobenzoic acid 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl ester
OPENEYE Name: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl 3,5-dinitrobenzoate
IUPAC Name: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C17H12N2O6
MOLECULAR WEIGHT: 340.28698
SMILES: C1C2C1C3=CC=CC=C3C2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:

---

CAS RN: 57378-75-3
CAS Name: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-ol
OPENEYE Name: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-ol
IUPAC Name: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-ol
SYSTEMATIC NAME: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-ol
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: C1C2C1C3=CC=CC=C3C2O
Structure:

---

CAS RN: 64666-55-3
CAS Name: 3,5-dinitrobenzoic acid 9H-fluoren-9-yl ester
OPENEYE Name: 9H-fluoren-9-yl 3,5-dinitrobenzoate
IUPAC Name: 9H-fluoren-9-yl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 9H-fluoren-9-yl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C20H12N2O6
MOLECULAR WEIGHT: 376.31908
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:

---

CAS RN: 56631-57-3
CAS Name: 1H-inden-1-ol
OPENEYE Name: 1H-inden-1-ol
IUPAC Name: 1H-inden-1-ol
SYSTEMATIC NAME: 1H-inden-1-ol
MOLECULAR FORMULA: C9H8O
MOLECULAR WEIGHT: 132.15922
SMILES: C1=CC=C2C(C=CC2=C1)O
Structure:

---

CAS RN: 61463-21-6
CAS Name: 1H-inden-1-ol
OPENEYE Name: 1H-inden-1-ol
IUPAC Name: 1H-inden-1-ol
SYSTEMATIC NAME: 1H-inden-1-ol
MOLECULAR FORMULA: C9H8O
MOLECULAR WEIGHT: 132.15922
SMILES: C1=CC=C2C(C=CC2=C1)O
Structure:

http://ChemLookup.com Compounds

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CAS RN: 73851-44-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16N6O4S
MOLECULAR WEIGHT: 364.37964
SMILES: CSC1=NC=NC2=C1C3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N
Structure:

---

CAS RN: 57680-48-5
CAS Name: 2-(hydroxymethyl)-5-[4-(methylthio)-1-triazolo[4,5-c]pyridinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(4-methylsulfanyltriazolo[4,5-c]pyridin-1-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(4-methylsulfanyltriazolo[4,5-c]pyridin-1-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(4-methylsulfanyl-[1,2,3]triazolo[4,5-c]pyridin-1-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: CSC1=NC=CC2=C1N=NN2C3C(C(C(O3)CO)O)O
Structure:

---

CAS RN: 57362-83-1
CAS Name: N-[oxo(2H-triazol-4-yl)methyl]carbamic acid methyl ester
OPENEYE Name: methyl N-(2H-triazole-4-carbonyl)carbamate
IUPAC Name: methyl N-(2H-triazole-4-carbonyl)carbamate
SYSTEMATIC NAME: methyl N-(2H-1,2,3-triazol-4-ylcarbonyl)carbamate
MOLECULAR FORMULA: C5H6N4O3
MOLECULAR WEIGHT: 170.12614
SMILES: COC(=O)NC(=O)C1=NNN=C1
Structure:

---

CAS RN: 69100-09-0
CAS Name: 3-[3,4-dihydroxy-5-(iodomethyl)-2-oxolanyl]pyrrole-2,5-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(iodomethyl)tetrahydrofuran-2-yl]pyrrole-2,5-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrrole-2,5-dione
SYSTEMATIC NAME: 3-[5-(iodanylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrole-2,5-dione
MOLECULAR FORMULA: C9H10INO5
MOLECULAR WEIGHT: 339.08387
SMILES: C1=C(C(=O)NC1=O)C2C(C(C(O2)CI)O)O
Structure:

---

CAS RN: 18791-21-4
CAS Name: N-[2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxy-2-pyridinecarboxamide
OPENEYE Name: 3-hydroxy-N-[10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide
IUPAC Name: N-[2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxypyridine-2-carboxamide
SYSTEMATIC NAME: N-[2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-oxidanyl-pyridine-2-carboxamide
MOLECULAR FORMULA: C27H32N4O8
MOLECULAR WEIGHT: 540.56498
SMILES: CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)CC2=CN=CC=C2)NC(=O)C3=C(C=CC=N3)O)C)C
Structure:

---

CAS RN: 4382-39-2
CAS Name: 3,5-dichloro-2,4-dihydroxy-6-methylbenzoic acid (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) ester
OPENEYE Name: (3-hydroxy-4-methoxycarbonyl-5-methyl-phenyl) 3,5-dichloro-2,4-dihydroxy-6-methyl-benzoate
IUPAC Name: (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate
SYSTEMATIC NAME: (4-methoxycarbonyl-3-methyl-5-oxidanyl-phenyl) 3,5-bis(chloranyl)-2-methyl-4,6-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C17H14Cl2O7
MOLECULAR WEIGHT: 401.19486
SMILES: CC1=CC(=CC(=C1C(=O)OC)O)OC(=O)C2=C(C(=C(C(=C2O)Cl)O)Cl)C
Structure:

---

CAS RN: 64414-17-1
CAS Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazagermole
OPENEYE Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazagermole
IUPAC Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazagermole
SYSTEMATIC NAME: 2-tert-butyl-3,3-dimethyl-1,3-benzazagermole
MOLECULAR FORMULA: C13H19GeN
MOLECULAR WEIGHT: 261.93666
SMILES: CC(C)(C)C1=NC2=CC=CC=C2[Ge]1(C)C
Structure:

---

CAS RN: 64414-18-2
CAS Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
OPENEYE Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
IUPAC Name: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
SYSTEMATIC NAME: 2-tert-butyl-3,3-dimethyl-1,3-benzazasilole
MOLECULAR FORMULA: C13H19NSi
MOLECULAR WEIGHT: 217.38216
SMILES: CC(C)(C)C1=NC2=CC=CC=C2[Si]1(C)C
Structure:

---

CAS RN: 64414-14-8
CAS Name: 2-tert-butyl-3,3-diphenyl-1,3-benzazasilole
OPENEYE Name: 2-tert-butyl-3,3-diphenyl-1,3-benzazasilole
IUPAC Name: 2-tert-butyl-3,3-diphenyl-1,3-benzazasilole
SYSTEMATIC NAME: 2-tert-butyl-3,3-diphenyl-1,3-benzazasilole
MOLECULAR FORMULA: C23H23NSi
MOLECULAR WEIGHT: 341.52092
SMILES: CC(C)(C)C1=NC2=CC=CC=C2[Si]1(C3=CC=CC=C3)C4=CC=CC=C4
Structure:

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CAS RN: 64414-15-9
CAS Name: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole
OPENEYE Name: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole
IUPAC Name: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole
SYSTEMATIC NAME: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole
MOLECULAR FORMULA: C17H18NP
MOLECULAR WEIGHT: 267.305281
SMILES: CC(C)(C)C1=NC2=CC=CC=C2P1C3=CC=CC=C3
Structure:

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CAS RN: 17626-88-9
CAS Name: 2-tert-butyl-1,3-benzothiazole
OPENEYE Name: 2-tert-butyl-1,3-benzothiazole
IUPAC Name: 2-tert-butyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-tert-butyl-1,3-benzothiazole
MOLECULAR FORMULA: C11H13NS
MOLECULAR WEIGHT: 191.29262
SMILES: CC(C)(C)C1=NC2=CC=CC=C2S1
Structure:

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CAS RN: 13114-20-0
CAS Name: 3,3-dimethyl-N-phenyl-2-butanimine
OPENEYE Name: 3,3-dimethyl-N-phenyl-butan-2-imine
IUPAC Name: 3,3-dimethyl-N-phenylbutan-2-imine
SYSTEMATIC NAME: 3,3-dimethyl-N-phenyl-butan-2-imine
MOLECULAR FORMULA: C12H17N
MOLECULAR WEIGHT: 175.27008
SMILES: CC(=NC1=CC=CC=C1)C(C)(C)C
Structure:

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CAS RN: 6372-51-6
CAS Name: (1-cyclohexyl-3-phenyl-2-aziridinyl)-(4-phenylphenyl)methanone
OPENEYE Name: (1-cyclohexyl-3-phenyl-aziridin-2-yl)-(4-phenylphenyl)methanone
IUPAC Name: (1-cyclohexyl-3-phenylaziridin-2-yl)-(4-phenylphenyl)methanone
SYSTEMATIC NAME: (1-cyclohexyl-3-phenyl-aziridin-2-yl)-(4-phenylphenyl)methanone
MOLECULAR FORMULA: C27H27NO
MOLECULAR WEIGHT: 381.50938
SMILES: C1CCC(CC1)N2C(C2C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:

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CAS RN: 32045-79-7
CAS Name: 2,3-dibromo-3-phenyl-1-(4-phenylphenyl)-1-propanone
OPENEYE Name: 2,3-dibromo-3-phenyl-1-(4-phenylphenyl)propan-1-one
IUPAC Name: 2,3-dibromo-3-phenyl-1-(4-phenylphenyl)propan-1-one
SYSTEMATIC NAME: 2,3-bis(bromanyl)-3-phenyl-1-(4-phenylphenyl)propan-1-one
MOLECULAR FORMULA: C21H16Br2O
MOLECULAR WEIGHT: 444.15914
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(C(C3=CC=CC=C3)Br)Br
Structure:

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CAS RN: 72836-56-7
CAS Name: 4-[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]benzoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl 4-[[2-(2-naphthyloxy)acetyl]amino]benzoate
IUPAC Name: 2-(diethylamino)ethyl 4-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-(2-naphthalen-2-yloxyethanoylamino)benzoate
MOLECULAR FORMULA: C25H28N2O4
MOLECULAR WEIGHT: 420.50082
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC3=CC=CC=C3C=C2
Structure:

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CAS RN: 53657-37-7
CAS Name: 1-[3,4-dimethoxy-5-(methoxymethyl)-2-oxolanyl]-3-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dimethoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-3-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H20N2O6
MOLECULAR WEIGHT: 300.3077
SMILES: CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COC)OC)OC
Structure:

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CAS RN: 65649-47-0
CAS Name: 9-[3,4-dimethoxy-5-(methoxymethyl)-2-oxolanyl]-N-methyl-6-purinamine
OPENEYE Name: 9-[3,4-dimethoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-N-methyl-purin-6-amine
IUPAC Name: 9-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-N-methylpurin-6-amine
SYSTEMATIC NAME: 9-[3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-N-methyl-purin-6-amine
MOLECULAR FORMULA: C14H21N5O4
MOLECULAR WEIGHT: 323.34764
SMILES: CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)COC)OC)OC
Structure:

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CAS RN: 2140-69-4
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O6
MOLECULAR WEIGHT: 258.22796
SMILES: CN1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O
Structure:

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CAS RN: 50332-66-6
CAS Name: 3-nitro-1H-quinolin-4-one
OPENEYE Name: 3-nitro-1H-quinolin-4-one
IUPAC Name: 3-nitro-1H-quinolin-4-one
SYSTEMATIC NAME: 3-nitro-1H-quinolin-4-one
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]
Structure:

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CAS RN: 15644-90-3
CAS Name: 6-methoxy-2-methyl-1H-quinolin-4-one
OPENEYE Name: 6-methoxy-2-methyl-1H-quinolin-4-one
IUPAC Name: 6-methoxy-2-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 6-methoxy-2-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CC1=CC(=O)C2=C(N1)C=CC(=C2)OC
Structure:

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CAS RN: 3033-80-5
CAS Name: 8-methoxy-2-methylquinoline
OPENEYE Name: 8-methoxy-2-methyl-quinoline
IUPAC Name: 8-methoxy-2-methylquinoline
SYSTEMATIC NAME: 8-methoxy-2-methyl-quinoline
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CC1=NC2=C(C=CC=C2OC)C=C1
Structure: