CAS RN: 67498-91-3
CAS Name: N-phenylcarbamic acid 3-bicyclo[2.2.1]heptanyl ester
OPENEYE Name: norbornan-2-yl N-phenylcarbamate
IUPAC Name: 3-bicyclo[2.2.1]heptanyl N-phenylcarbamate
SYSTEMATIC NAME: 3-bicyclo[2.2.1]heptanyl N-phenylcarbamate
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: C1CC2CC1CC2OC(=O)NC3=CC=CC=C3
Structure:
CAS RN: 931-61-3
CAS Name: N-methyl-2-pyrimidinamine
OPENEYE Name: N-methylpyrimidin-2-amine
IUPAC Name: N-methylpyrimidin-2-amine
SYSTEMATIC NAME: N-methylpyrimidin-2-amine
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: CNC1=NC=CC=N1
Structure:
CAS RN: 40374-14-9
CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid
OPENEYE Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid
IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(6-nitro-1,3-benzodioxol-5-yl)ethanoic acid
MOLECULAR FORMULA: C9H7NO6
MOLECULAR WEIGHT: 225.15498
SMILES: C1OC2=C(O1)C=C(C(=C2)CC(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 13922-58-2
CAS Name: 3,5-dimethyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
OPENEYE Name: 3,5-dimethyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
IUPAC Name: 3,5-dimethyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
SYSTEMATIC NAME: 3,5-dimethyl-2,4-dihydropyrimido[4,5-e][1,3]oxazine-6,8-dione
MOLECULAR FORMULA: C8H11N3O3
MOLECULAR WEIGHT: 197.19124
SMILES: CN1CC2=C(C(=O)NC(=O)N2C)OC1
Structure:
CAS RN: 13507-52-3
CAS Name: (2-oxo-1-benzopyran-3-yl)phosphonic acid
OPENEYE Name: (2-oxochromen-3-yl)phosphonic acid
IUPAC Name: (2-oxochromen-3-yl)phosphonic acid
SYSTEMATIC NAME: (2-oxidanylidenechromen-3-yl)phosphonic acid
MOLECULAR FORMULA: C9H7O5P
MOLECULAR WEIGHT: 226.122641
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)P(=O)(O)O
Structure:
CAS RN: 135-41-1
CAS Name: (2-oxo-1-benzopyran-3-yl)phosphonic acid
OPENEYE Name: (2-oxochromen-3-yl)phosphonic acid
IUPAC Name: (2-oxochromen-3-yl)phosphonic acid
SYSTEMATIC NAME: (2-oxidanylidenechromen-3-yl)phosphonic acid
MOLECULAR FORMULA: C9H7O5P
MOLECULAR WEIGHT: 226.122641
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)P(=O)(O)O
Structure:
CAS RN: 31253-48-2
CAS Name: 3-hydrazinyl-5-oxo-2H-1,2,4-triazine-6-carbohydrazide
OPENEYE Name: 3-hydrazino-5-oxo-2H-1,2,4-triazine-6-carbohydrazide
IUPAC Name: 3-hydrazinyl-5-oxo-2H-1,2,4-triazine-6-carbohydrazide
SYSTEMATIC NAME: 3-diazanyl-5-oxidanylidene-2H-1,2,4-triazine-6-carbohydrazide
MOLECULAR FORMULA: C4H7N7O2
MOLECULAR WEIGHT: 185.14408
SMILES: C1(=NNC(=NC1=O)NN)C(=O)NN
Structure:
CAS RN: 1936-70-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H48N2
MOLECULAR WEIGHT: 400.68342
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)NC)C)C)N(C)C
Structure:
CAS RN: 19461-22-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H48N2
MOLECULAR WEIGHT: 400.68342
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)NC)C)C)N(C)C
Structure:
CAS RN: 93475-86-6
CAS Name: acetic acid (4-oxo-2-propyl-1-quinolinyl)methyl ester
OPENEYE Name: (4-oxo-2-propyl-1-quinolyl)methyl acetate
IUPAC Name: (4-oxo-2-propylquinolin-1-yl)methyl acetate
SYSTEMATIC NAME: (4-oxidanylidene-2-propyl-quinolin-1-yl)methyl ethanoate
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: CCCC1=CC(=O)C2=CC=CC=C2N1COC(=O)C
Structure:
CAS RN: 16088-08-7
CAS Name: 2,3-dihydroxy-3-phenylpropanoic acid
OPENEYE Name: 2,3-dihydroxy-3-phenyl-propanoic acid
IUPAC Name: 2,3-dihydroxy-3-phenylpropanoic acid
SYSTEMATIC NAME: 2,3-bis(oxidanyl)-3-phenyl-propanoic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: C1=CC=C(C=C1)C(C(C(=O)O)O)O
Structure:
CAS RN: 41167-74-2
CAS Name: 1-(4-bromophenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(4-bromophenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(4-bromophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-bromophenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H8BrNO2
MOLECULAR WEIGHT: 254.08002
SMILES: C1CC(=O)N(C1=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 41401-15-4
CAS Name: 1-(4-bromophenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(4-bromophenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-(4-bromophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-bromophenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H8BrNO2
MOLECULAR WEIGHT: 254.08002
SMILES: C1CC(=O)N(C1=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 5291-25-8
CAS Name: 12-bromoisoindolo[2,3-b]isoquinoline-5,7-dione
OPENEYE Name: 12-bromoisoindolo[2,3-b]isoquinoline-5,7-dione
IUPAC Name: 12-bromoisoindolo[2,3-b]isoquinoline-5,7-dione
SYSTEMATIC NAME: 12-bromanylisoindolo[2,3-b]isoquinoline-5,7-dione
MOLECULAR FORMULA: C16H8BrNO2
MOLECULAR WEIGHT: 326.14422
SMILES: C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C(=O)N3C2=O)Br
Structure:
CAS RN: 5291-18-9
CAS Name: 6-methylindeno[1,2-c]isoquinoline-5,11-dione
OPENEYE Name: 6-methylindeno[1,2-c]isoquinoline-5,11-dione
IUPAC Name: 6-methylindeno[1,2-c]isoquinoline-5,11-dione
SYSTEMATIC NAME: 6-methylindeno[1,2-c]isoquinoline-5,11-dione
MOLECULAR FORMULA: C17H11NO2
MOLECULAR WEIGHT: 261.27474
SMILES: CN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42
Structure:
CAS RN: 5651-60-5
CAS Name: indeno[1,2-c][2]benzopyran-5,11-dione
OPENEYE Name: indeno[1,2-c]isochromene-5,11-dione
IUPAC Name: indeno[1,2-c]isochromene-5,11-dione
SYSTEMATIC NAME: indeno[1,2-c]isochromene-5,11-dione
MOLECULAR FORMULA: C16H8O3
MOLECULAR WEIGHT: 248.23292
SMILES: C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)OC2=O
Structure:
CAS RN: 27172-29-8
CAS Name: 3-hydroxy-2-[4-(3-hydroxy-4-oxo-1-benzopyran-2-yl)phenyl]-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-2-[4-(3-hydroxy-4-oxo-chromen-2-yl)phenyl]chromen-4-one
IUPAC Name: 3-hydroxy-2-[4-(3-hydroxy-4-oxochromen-2-yl)phenyl]chromen-4-one
SYSTEMATIC NAME: 3-oxidanyl-2-[4-(3-oxidanyl-4-oxidanylidene-chromen-2-yl)phenyl]chromen-4-one
MOLECULAR FORMULA: C24H14O6
MOLECULAR WEIGHT: 398.36436
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C4=C(C(=O)C5=CC=CC=C5O4)O)O
Structure:
CAS RN: 58544-90-4
CAS Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromen-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-7-methoxy-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H16O6
MOLECULAR WEIGHT: 328.31604
SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)O
Structure:
CAS RN: 70460-52-5
CAS Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3-dimethoxy-chroman-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-2,3-dimethoxy-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C19H20O7
MOLECULAR WEIGHT: 360.3579
SMILES: COC1=C(C=C(C=C1)C2(C(C(=O)C3=CC=CC=C3O2)(O)OC)OC)OC
Structure:
CAS RN: 18173-64-3
CAS Name: 3,3-dihydroxy-2-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 3,3-dihydroxy-2-methoxy-2-phenyl-chroman-4-one
IUPAC Name: 3,3-dihydroxy-2-methoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 2-methoxy-3,3-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: COC1(C(C(=O)C2=CC=CC=C2O1)(O)O)C3=CC=CC=C3
Structure:
CAS RN: 70460-61-6
CAS Name: 2,3-diethoxy-3-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 2,3-diethoxy-3-hydroxy-2-phenyl-chroman-4-one
IUPAC Name: 2,3-diethoxy-3-hydroxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 2,3-diethoxy-3-oxidanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: CCOC1(C(C(=O)C2=CC=CC=C2O1)(O)OCC)C3=CC=CC=C3
Structure:
CAS RN: 2047-54-3
CAS Name: 3-hydroxy-2,3,7-trimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-2,3,7-trimethoxy-2-phenyl-chroman-4-one
IUPAC Name: 3-hydroxy-2,3,7-trimethoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 2,3,7-trimethoxy-3-oxidanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: COC1=CC2=C(C=C1)C(=O)C(C(O2)(C3=CC=CC=C3)OC)(O)OC
Structure:
CAS RN: 1808-01-1
CAS Name: 3,3-dihydroxy-2,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 3,3-dihydroxy-2,7-dimethoxy-2-(4-methoxyphenyl)chroman-4-one
IUPAC Name: 3,3-dihydroxy-2,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2,7-dimethoxy-2-(4-methoxyphenyl)-3,3-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C18H18O7
MOLECULAR WEIGHT: 346.33132
SMILES: COC1=CC=C(C=C1)C2(C(C(=O)C3=C(O2)C=C(C=C3)OC)(O)O)OC
Structure:
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