CAS RN: 3179-10-0
CAS Name: 1-methoxy-4-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 1-methoxy-4-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1-methoxy-4-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: COC1=CC=C(C=C1)/C=C/[N+](=O)[O-]
Structure:
CAS RN: 19768-75-3
CAS Name: 4-[(E)-2-carboxyethenyl]benzoic acid
OPENEYE Name: 4-[(E)-2-carboxyvinyl]benzoic acid
IUPAC Name: 4-[(E)-2-carboxyethenyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C10H8O4
MOLECULAR WEIGHT: 192.16812
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)C(=O)O
Structure:
CAS RN: 118399-28-3
CAS Name: N-[(3R)-5-oxo-3-oxolanyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(3R)-5-oxotetrahydrofuran-3-yl]carbamate
IUPAC Name: benzyl N-[(3R)-5-oxooxolan-3-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(3R)-5-oxidanylideneoxolan-3-yl]carbamate
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: C1[C@H](COC1=O)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 7277-87-4
CAS Name: 2-[4-(trifluoromethoxy)phenoxy]acetic acid
OPENEYE Name: 2-[4-(trifluoromethoxy)phenoxy]acetic acid
IUPAC Name: 2-[4-(trifluoromethoxy)phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-(trifluoromethyloxy)phenoxy]ethanoic acid
MOLECULAR FORMULA: C9H7F3O4
MOLECULAR WEIGHT: 236.14469
SMILES: C1=CC(=CC=C1OCC(=O)O)OC(F)(F)F
Structure:
CAS RN: 20146-25-2
CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid
OPENEYE Name: 2-(2-furyl)quinoline-4-carboxylic acid
IUPAC Name: 2-(furan-2-yl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(furan-2-yl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C14H9NO3
MOLECULAR WEIGHT: 239.22616
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)O
Structure:
CAS RN: 119767-00-9
CAS Name: (2R)-2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
OPENEYE Name: (2R)-2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
IUPAC Name: (2R)-2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: (2R)-1,2-bis(4-methoxyphenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: COC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)OC)O
Structure:
CAS RN: 119-76-6
CAS Name: (2S)-2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
OPENEYE Name: (2S)-2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
IUPAC Name: (2S)-2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: (2S)-1,2-bis(4-methoxyphenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: COC1=CC=C(C=C1)[C@@H](C(=O)C2=CC=C(C=C2)OC)O
Structure:
CAS RN: 38795-19-6
CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=CC(=C(C=C1)OC)/C=C/C(=O)O
Structure:
CAS RN: 10538-51-9
CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=CC(=C(C=C1)OC)/C=C/C(=O)O
Structure:
CAS RN: 84-39-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17NO4
MOLECULAR WEIGHT: 323.34258
SMILES: C1CN2CC3=C(C[C@@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Structure:
CAS RN: 38970-50-2
CAS Name: 4-hydroxybenzoic acid [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl] 4-hydroxybenzoate
IUPAC Name: [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C17H22O3
MOLECULAR WEIGHT: 274.35478
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2OC(=O)C3=CC=C(C=C3)O
Structure:
CAS RN: 36361-79-2
CAS Name: 6-methyl-5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-benzyl-6-methyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-benzyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H12N2OS
MOLECULAR WEIGHT: 232.30148
SMILES: CC1=C(C(=O)NC(=S)N1)CC2=CC=CC=C2
Structure:
CAS RN: 284680-44-0
CAS Name: 6-methyl-2-(1-pyrrolidinyl)-1H-pyrimidin-4-one
OPENEYE Name: 6-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-4-one
IUPAC Name: 6-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C9H13N3O
MOLECULAR WEIGHT: 179.21902
SMILES: CC1=CC(=O)N=C(N1)N2CCCC2
Structure:
CAS RN: 68141-14-0
CAS Name: (5Z)-5-phenacylideneimidazolidine-2,4-dione
OPENEYE Name: (5Z)-5-phenacylideneimidazolidine-2,4-dione
IUPAC Name: (5Z)-5-phenacylideneimidazolidine-2,4-dione
SYSTEMATIC NAME: (5Z)-5-phenacylideneimidazolidine-2,4-dione
MOLECULAR FORMULA: C11H8N2O3
MOLECULAR WEIGHT: 216.19282
SMILES: C1=CC=C(C=C1)C(=O)/C=C\2/C(=O)NC(=O)N2
Structure:
CAS RN: 102613-14-9
CAS Name: 6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-allyl-6-methyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C8H10N2OS
MOLECULAR WEIGHT: 182.2428
SMILES: CC1=C(C(=O)NC(=S)N1)CC=C
Structure:
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