CAS RN: 86533-46-2
CAS Name: 2-(5-nitro-1H-indol-3-yl)-2-oxoacetic acid
OPENEYE Name: 2-(5-nitro-1H-indol-3-yl)-2-oxo-acetic acid
IUPAC Name: 2-(5-nitro-1H-indol-3-yl)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C10H6N2O5
MOLECULAR WEIGHT: 234.16504
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)C(=O)O
Structure:
CAS RN: 86471-07-0
CAS Name: 2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl chloride
OPENEYE Name: 2-(5-nitro-1H-indol-3-yl)-2-oxo-acetyl chloride
IUPAC Name: 2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl chloride
SYSTEMATIC NAME: 2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanoyl chloride
MOLECULAR FORMULA: C10H5ClN2O4
MOLECULAR WEIGHT: 252.6107
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)C(=O)Cl
Structure:
CAS RN: 92028-91-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34O5
MOLECULAR WEIGHT: 438.55586
SMILES: CC(=O)C12[C@@H](C[C@@H]3[C@@]1(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)OC(O2)(C)C6=CC=CO6
Structure:
CAS RN: 7148-96-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34O5
MOLECULAR WEIGHT: 438.55586
SMILES: CC(=O)C12[C@@H](C[C@@H]3[C@@]1(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)OC(O2)(C)C6=CC=CO6
Structure:
CAS RN: 39520-22-4
CAS Name: 2-butylpropanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-butylpropanedioate
IUPAC Name: dimethyl 2-butylpropanedioate
SYSTEMATIC NAME: dimethyl 2-butylpropanedioate
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CCCCC(C(=O)OC)C(=O)OC
Structure:
CAS RN: 21696-09-3
CAS Name: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-fluorobenzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-fluoro-terephthalamide
IUPAC Name: 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-fluorobenzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-fluoranyl-benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C26H23FN6O2
MOLECULAR WEIGHT: 470.498223
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)F
Structure:
CAS RN: 36360-33-5
CAS Name: N1,N4-bis(4-methylphenyl)benzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis(p-tolyl)terephthalamide
IUPAC Name: 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis(4-methylphenyl)benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C22H20N2O2
MOLECULAR WEIGHT: 344.4064
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C
Structure:
CAS RN: 2309-47-9
CAS Name: 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
IUPAC Name: dimethyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl 3,4,5,6-tetrakis(chloranyl)benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C10H6Cl4O4
MOLECULAR WEIGHT: 331.96424
SMILES: COC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC
Structure:
CAS RN: 37172-89-7
CAS Name: 1-[bis(phenylmethylthio)methyl]-4-methoxybenzene
OPENEYE Name: 1-[bis(benzylsulfanyl)methyl]-4-methoxy-benzene
IUPAC Name: 1-[bis(benzylsulfanyl)methyl]-4-methoxybenzene
SYSTEMATIC NAME: 1-[bis(phenylmethylsulfanyl)methyl]-4-methoxy-benzene
MOLECULAR FORMULA: C22H22OS2
MOLECULAR WEIGHT: 366.53948
SMILES: COC1=CC=C(C=C1)C(SCC2=CC=CC=C2)SCC3=CC=CC=C3
Structure:
CAS RN: 21698-08-8
CAS Name: 1,2,3-trichloro-2-(chloromethyl)propane
OPENEYE Name: 1,2,3-trichloro-2-(chloromethyl)propane
IUPAC Name: 1,2,3-trichloro-2-(chloromethyl)propane
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)-2-(chloromethyl)propane
MOLECULAR FORMULA: C4H6Cl4
MOLECULAR WEIGHT: 195.90244
SMILES: C(C(CCl)(CCl)Cl)Cl
Structure:
CAS RN: 17321-35-6
CAS Name: 3-iodo-6-methoxypyridazine
OPENEYE Name: 3-iodo-6-methoxy-pyridazine
IUPAC Name: 3-iodo-6-methoxypyridazine
SYSTEMATIC NAME: 3-iodanyl-6-methoxy-pyridazine
MOLECULAR FORMULA: C5H5IN2O
MOLECULAR WEIGHT: 236.01047
SMILES: COC1=NN=C(C=C1)I
Structure:
CAS RN: 22316-45-6
CAS Name: 6-chloro-2-(6-chloro-3-pyridazinyl)-3-pyridazinone
OPENEYE Name: 6-chloro-2-(6-chloropyridazin-3-yl)pyridazin-3-one
IUPAC Name: 6-chloro-2-(6-chloropyridazin-3-yl)pyridazin-3-one
SYSTEMATIC NAME: 6-chloranyl-2-(6-chloranylpyridazin-3-yl)pyridazin-3-one
MOLECULAR FORMULA: C8H4Cl2N4O
MOLECULAR WEIGHT: 243.04956
SMILES: C1=CC(=NN=C1N2C(=O)C=CC(=N2)Cl)Cl
Structure:
CAS RN: 768-60-5
CAS Name: 1-ethynyl-4-methoxybenzene
OPENEYE Name: 1-ethynyl-4-methoxy-benzene
IUPAC Name: 1-ethynyl-4-methoxybenzene
SYSTEMATIC NAME: 1-ethynyl-4-methoxy-benzene
MOLECULAR FORMULA: C9H8O
MOLECULAR WEIGHT: 132.15922
SMILES: COC1=CC=C(C=C1)C#C
Structure:
CAS RN: 7515-15-3
CAS Name: 3-(4-nitrophenyl)-2-propynoic acid methyl ester
OPENEYE Name: methyl 3-(4-nitrophenyl)prop-2-ynoate
IUPAC Name: methyl 3-(4-nitrophenyl)prop-2-ynoate
SYSTEMATIC NAME: methyl 3-(4-nitrophenyl)prop-2-ynoate
MOLECULAR FORMULA: C10H7NO4
MOLECULAR WEIGHT: 205.16688
SMILES: COC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 7096-96-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: CCC1C2CC3C4(CC(C2CO3)N1)C5=CC=CC=C5N(C4=O)OC
Structure:
CAS RN: 78730-59-3
CAS Name: 2,2,3,3,3-pentafluoro-N'-(2,2,3,3,3-pentafluoro-1-iminopropyl)propanimidamide
OPENEYE Name: 2,2,3,3,3-pentafluoro-N'-(2,2,3,3,3-pentafluoropropanimidoyl)propanamidine
IUPAC Name: 2,2,3,3,3-pentafluoro-N'-(2,2,3,3,3-pentafluoropropanimidoyl)propanimidamide
SYSTEMATIC NAME: 2,2,3,3,3-pentakis(fluoranyl)-N'-[2,2,3,3,3-pentakis(fluoranyl)propanimidoyl]propanimidamide
MOLECULAR FORMULA: C6H3F10N3
MOLECULAR WEIGHT: 307.092152
SMILES: C(=NC(=N)C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)N
Structure:
CAS RN: 375-19-9
CAS Name: 2,2,3,3,4,4,4-heptafluorobutanimidamide
OPENEYE Name: 2,2,3,3,4,4,4-heptafluorobutanamidine
IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanimidamide
SYSTEMATIC NAME: 2,2,3,3,4,4,4-heptakis(fluoranyl)butanimidamide
MOLECULAR FORMULA: C4H3F7N2
MOLECULAR WEIGHT: 212.068842
SMILES: C(=N)(C(C(C(F)(F)F)(F)F)(F)F)N
Structure:
CAS RN: 78604-82-7
CAS Name: 2,2,3,3,4,4,5,5-octafluorohexanediimidamide
OPENEYE Name: 2,2,3,3,4,4,5,5-octafluorohexanediamidine
IUPAC Name: 2,2,3,3,4,4,5,5-octafluorohexanediimidamide
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5-octakis(fluoranyl)hexanediimidamide
MOLECULAR FORMULA: C6H6F8N4
MOLECULAR WEIGHT: 286.125866
SMILES: C(=N)(C(C(C(C(C(=N)N)(F)F)(F)F)(F)F)(F)F)N
Structure:
CAS RN: 2919-66-6
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-16-methylidene-3-oxidanylidene-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C25H32O4
MOLECULAR WEIGHT: 396.51918
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
Structure:
CAS RN: 91599-21-2
CAS Name: 1-(4-chlorophenyl)-2-methyl-6-phenyl-4-pyridinone
OPENEYE Name: 1-(4-chlorophenyl)-2-methyl-6-phenyl-pyridin-4-one
IUPAC Name: 1-(4-chlorophenyl)-2-methyl-6-phenylpyridin-4-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-methyl-6-phenyl-pyridin-4-one
MOLECULAR FORMULA: C18H14ClNO
MOLECULAR WEIGHT: 295.76286
SMILES: CC1=CC(=O)C=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 92294-23-0
CAS Name: N4-(4-bromophenyl)-N6-butyl-5-nitrosopyrimidine-2,4,6-triamine
OPENEYE Name: N4-(4-bromophenyl)-N6-butyl-5-nitroso-pyrimidine-2,4,6-triamine
IUPAC Name: 4-N-(4-bromophenyl)-6-N-butyl-5-nitrosopyrimidine-2,4,6-triamine
SYSTEMATIC NAME: N4-(4-bromophenyl)-N6-butyl-5-nitroso-pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C14H17BrN6O
MOLECULAR WEIGHT: 365.22838
SMILES: CCCCNC1=NC(=NC(=C1N=O)NC2=CC=C(C=C2)Br)N
Structure:
CAS RN: 27473-62-7
CAS Name: 2-amino-1,3-dihydroindene-2-carboxylic acid
OPENEYE Name: 2-aminoindane-2-carboxylic acid
IUPAC Name: 2-amino-1,3-dihydroindene-2-carboxylic acid
SYSTEMATIC NAME: 2-azanyl-1,3-dihydroindene-2-carboxylic acid
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1C2=CC=CC=C2CC1(C(=O)O)N
Structure:
CAS RN: 2140-65-0
CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-methyl-6-purinone
OPENEYE Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-purin-6-one
IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: CN1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:
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