CAS RN: 5429-83-4
CAS Name: oxido-phenyl-(phenylmethyl)iminoammonium
OPENEYE Name: benzylimino-oxido-phenyl-ammonium
IUPAC Name: benzylimino-oxido-phenylazanium
SYSTEMATIC NAME: oxidanidyl-phenyl-(phenylmethyl)imino-azanium
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C1=CC=C(C=C1)CN=[N+](C2=CC=CC=C2)[O-]
Structure:
CAS RN: 33667-59-3
CAS Name: (4-ethoxyphenyl)-phenylmethanone
OPENEYE Name: (4-ethoxyphenyl)-phenyl-methanone
IUPAC Name: (4-ethoxyphenyl)-phenylmethanone
SYSTEMATIC NAME: (4-ethoxyphenyl)-phenyl-methanone
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: CCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 114914-42-0
CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propyl]isoindole-1,3-dione
OPENEYE Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propyl]isoindoline-1,3-dione
IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]isoindole-1,3-dione
MOLECULAR FORMULA: C19H14N2O4
MOLECULAR WEIGHT: 334.32546
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 73953-90-9
CAS Name: 1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
OPENEYE Name: 1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
IUPAC Name: 1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
MOLECULAR FORMULA: C9H6Cl2N4
MOLECULAR WEIGHT: 241.07674
SMILES: C1=CC(=C(C=C1Cl)Cl)C=NC2=NC=NN2
Structure:
CAS RN: 89073-60-9
CAS Name: 2-chloro-7-ethoxy-10-oxidophenazin-5-ium 5-oxide
OPENEYE Name: 2-chloro-7-ethoxy-10-oxido-phenazin-5-ium 5-oxide
IUPAC Name: 2-chloro-7-ethoxy-10-oxidophenazin-5-ium 5-oxide
SYSTEMATIC NAME: 2-chloranyl-7-ethoxy-10-oxidanidyl-phenazin-5-ium 5-oxide
MOLECULAR FORMULA: C14H11ClN2O3
MOLECULAR WEIGHT: 290.70174
SMILES: CCOC1=CC2=C(C=C1)N(C3=C([N+]2=O)C=CC(=C3)Cl)[O-]
Structure:
CAS RN: 17196-53-1
CAS Name: 1-(2-hydroxy-5-nitrophenyl)ethanone
OPENEYE Name: 1-(2-hydroxy-5-nitro-phenyl)ethanone
IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(5-nitro-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
Structure:
CAS RN: 1450-76-6
CAS Name: 1-(2-hydroxy-5-nitrophenyl)ethanone
OPENEYE Name: 1-(2-hydroxy-5-nitro-phenyl)ethanone
IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(5-nitro-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
Structure:
CAS RN: 6968-35-0
CAS Name: 7-hydroxy-2,3-dihydroinden-1-one
OPENEYE Name: 7-hydroxyindan-1-one
IUPAC Name: 7-hydroxy-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 7-oxidanyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1CC(=O)C2=C1C=CC=C2O
Structure:
CAS RN: 208173-18-6
CAS Name: N,N-bis(2-chloroethyl)-4-fluorobenzamide
OPENEYE Name: N,N-bis(2-chloroethyl)-4-fluoro-benzamide
IUPAC Name: N,N-bis(2-chloroethyl)-4-fluorobenzamide
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-fluoranyl-benzamide
MOLECULAR FORMULA: C11H12Cl2FNO
MOLECULAR WEIGHT: 264.123483
SMILES: C1=CC(=CC=C1C(=O)N(CCCl)CCCl)F
Structure:
CAS RN: 16097-63-5
CAS Name: 4-chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine
OPENEYE Name: 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
IUPAC Name: 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 4-chloranyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C6H4ClF3N2S
MOLECULAR WEIGHT: 228.62257
SMILES: CSC1=NC(=CC(=N1)Cl)C(F)(F)F
Structure:
CAS RN: 16097-62-4
CAS Name: 2-(methylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one
OPENEYE Name: 2-methylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one
IUPAC Name: 2-methylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-methylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C6H5F3N2OS
MOLECULAR WEIGHT: 210.17691
SMILES: CSC1=NC(=O)C=C(N1)C(F)(F)F
Structure:
CAS RN: 21427-61-2
CAS Name: 5-chloro-3-nitro-1H-pyridin-2-one
OPENEYE Name: 5-chloro-3-nitro-1H-pyridin-2-one
IUPAC Name: 5-chloro-3-nitro-1H-pyridin-2-one
SYSTEMATIC NAME: 5-chloranyl-3-nitro-1H-pyridin-2-one
MOLECULAR FORMULA: C5H3ClN2O3
MOLECULAR WEIGHT: 174.54192
SMILES: C1=C(C(=O)NC=C1Cl)[N+](=O)[O-]
Structure:
CAS RN: 25111-89-1
CAS Name: 2,2-dimethyl-3H-1,3-benzothiazole
OPENEYE Name: 2,2-dimethyl-3H-1,3-benzothiazole
IUPAC Name: 2,2-dimethyl-3H-1,3-benzothiazole
SYSTEMATIC NAME: 2,2-dimethyl-3H-1,3-benzothiazole
MOLECULAR FORMULA: C9H11NS
MOLECULAR WEIGHT: 165.25534
SMILES: CC1(NC2=CC=CC=C2S1)C
Structure:
CAS RN: 1623-85-4
CAS Name: 2-methyl-1-[(2-methyl-1-aziridinyl)disulfanyl]aziridine
OPENEYE Name: 2-methyl-1-[(2-methylaziridin-1-yl)disulfanyl]aziridine
IUPAC Name: 2-methyl-1-[(2-methylaziridin-1-yl)disulfanyl]aziridine
SYSTEMATIC NAME: 2-methyl-1-[(2-methylaziridin-1-yl)disulfanyl]aziridine
MOLECULAR FORMULA: C6H12N2S2
MOLECULAR WEIGHT: 176.30288
SMILES: CC1CN1SSN2CC2C
Structure:
CAS RN: 1991-77-1
CAS Name: 2-methyl-1-[(2-methyl-1-aziridinyl)sulfinyl]aziridine
OPENEYE Name: 2-methyl-1-(2-methylaziridin-1-yl)sulfinyl-aziridine
IUPAC Name: 2-methyl-1-(2-methylaziridin-1-yl)sulfinylaziridine
SYSTEMATIC NAME: 2-methyl-1-(2-methylaziridin-1-yl)sulfinyl-aziridine
MOLECULAR FORMULA: C6H12N2OS
MOLECULAR WEIGHT: 160.23728
SMILES: CC1CN1S(=O)N2CC2C
Structure:
CAS RN: 10420-73-2
CAS Name: 6-chloro-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 6-chloro-2-phenyl-chromen-4-one
IUPAC Name: 6-chloro-2-phenylchromen-4-one
SYSTEMATIC NAME: 6-chloranyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C15H9ClO2
MOLECULAR WEIGHT: 256.68376
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl
Structure:
CAS RN: 1204-35-9
CAS Name: 1-(3-chlorophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(3-chlorophenyl)pyrrole-2,5-dione
IUPAC Name: 1-(3-chlorophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(3-chlorophenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: C1=CC(=CC(=C1)Cl)N2C(=O)C=CC2=O
Structure:
CAS RN: 20261-85-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H68O12
MOLECULAR WEIGHT: 764.98212
SMILES: CCC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)CC)C)C)C
Structure:
CAS RN: 5451-69-4
CAS Name: 1-pyridin-4-ylethanamine
OPENEYE Name: 1-(4-pyridyl)ethanamine
IUPAC Name: 1-pyridin-4-ylethanamine
SYSTEMATIC NAME: 1-pyridin-4-ylethanamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC(C1=CC=NC=C1)N
Structure:
CAS RN: 50392-78-4
CAS Name: 1-pyridin-4-ylethanamine
OPENEYE Name: 1-(4-pyridyl)ethanamine
IUPAC Name: 1-pyridin-4-ylethanamine
SYSTEMATIC NAME: 1-pyridin-4-ylethanamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC(C1=CC=NC=C1)N
Structure:
CAS RN: 27854-96-2
CAS Name: 1-pyridin-4-ylethanamine
OPENEYE Name: 1-(4-pyridyl)ethanamine
IUPAC Name: 1-pyridin-4-ylethanamine
SYSTEMATIC NAME: 1-pyridin-4-ylethanamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC(C1=CC=NC=C1)N
Structure:
CAS RN: 6633-69-8
CAS Name: (8R,9S,10R,12R,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,12R,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,12R,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,12R,13S,14S,15S,17S)-17-ethanoyl-10,13-dimethyl-12,15-bis(oxidanyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O4
MOLECULAR WEIGHT: 346.4605
SMILES: CC(=O)[C@H]1C[C@@H]([C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
Structure:
CAS RN: 16507-02-1
CAS Name: 4-methyl-4-nitropentanoic acid methyl ester
OPENEYE Name: methyl 4-methyl-4-nitro-pentanoate
IUPAC Name: methyl 4-methyl-4-nitropentanoate
SYSTEMATIC NAME: methyl 4-methyl-4-nitro-pentanoate
MOLECULAR FORMULA: C7H13NO4
MOLECULAR WEIGHT: 175.18242
SMILES: CC(C)(CCC(=O)OC)[N+](=O)[O-]
Structure:
CAS RN: 5498-74-8
CAS Name: 4-azaspiro[4.5]decan-3-one
OPENEYE Name: 4-azaspiro[4.5]decan-3-one
IUPAC Name: 4-azaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 4-azaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: C1CCC2(CC1)CCC(=O)N2
Structure:
CAS RN: 41667-95-2
CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid
OPENEYE Name: 5,6-dichloropyridine-3-carboxylic acid
IUPAC Name: 5,6-dichloropyridine-3-carboxylic acid
SYSTEMATIC NAME: 5,6-bis(chloranyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H3Cl2NO2
MOLECULAR WEIGHT: 191.99952
SMILES: C1=C(C=NC(=C1Cl)Cl)C(=O)O
Structure:
CAS RN: 22620-27-5
CAS Name: 5-chloro-3-pyridinecarboxylic acid
OPENEYE Name: 5-chloropyridine-3-carboxylic acid
IUPAC Name: 5-chloropyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-chloranylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H4ClNO2
MOLECULAR WEIGHT: 157.55446
SMILES: C1=C(C=NC=C1Cl)C(=O)O
Structure:
No comments:
Post a Comment