CAS RN: 3752-25-8
CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7ClO2
MOLECULAR WEIGHT: 182.60368
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)Cl
Structure:
CAS RN: 95061-83-9
CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7ClO2
MOLECULAR WEIGHT: 182.60368
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)Cl
Structure:
CAS RN: 4513-41-1
CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7ClO2
MOLECULAR WEIGHT: 182.60368
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)Cl
Structure:
CAS RN: 91-48-5
CAS Name: (Z)-2,3-diphenyl-2-propenoic acid
OPENEYE Name: (Z)-2,3-diphenylprop-2-enoic acid
IUPAC Name: (Z)-2,3-diphenylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-2,3-diphenylprop-2-enoic acid
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)O
Structure:
CAS RN: 52125-65-2
CAS Name: (Z)-2,3-diphenyl-2-propenoic acid
OPENEYE Name: (Z)-2,3-diphenylprop-2-enoic acid
IUPAC Name: (Z)-2,3-diphenylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-2,3-diphenylprop-2-enoic acid
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)O
Structure:
CAS RN: 91-47-4
CAS Name: (Z)-2,3-diphenyl-2-propenoic acid
OPENEYE Name: (Z)-2,3-diphenylprop-2-enoic acid
IUPAC Name: (Z)-2,3-diphenylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-2,3-diphenylprop-2-enoic acid
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)O
Structure:
CAS RN: 91-48-5
CAS Name: (E)-2,3-diphenyl-2-propenoic acid
OPENEYE Name: (E)-2,3-diphenylprop-2-enoic acid
IUPAC Name: (E)-2,3-diphenylprop-2-enoic acid
SYSTEMATIC NAME: (E)-2,3-diphenylprop-2-enoic acid
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)O
Structure:
CAS RN: 575-61-1
CAS Name: (3E)-3-(phenylmethylene)-1-isobenzofuranone
OPENEYE Name: (3E)-3-benzylideneisobenzofuran-1-one
IUPAC Name: (3E)-3-benzylidene-2-benzofuran-1-one
SYSTEMATIC NAME: (3E)-3-(phenylmethylidene)-2-benzofuran-1-one
MOLECULAR FORMULA: C15H10O2
MOLECULAR WEIGHT: 222.2387
SMILES: C1=CC=C(C=C1)/C=C/2\C3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 4841-23-0
CAS Name: 2-(4-bromophenoxy)acetic acid methyl ester
OPENEYE Name: methyl 2-(4-bromophenoxy)acetate
IUPAC Name: methyl 2-(4-bromophenoxy)acetate
SYSTEMATIC NAME: methyl 2-(4-bromanylphenoxy)ethanoate
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: COC(=O)COC1=CC=C(C=C1)Br
Structure:
CAS RN: 100063-22-7
CAS Name: 3-amino-5-phenyl-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-amino-5-phenyl-thiophene-2-carboxylate
IUPAC Name: methyl 3-amino-5-phenylthiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-5-phenyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C12H11NO2S
MOLECULAR WEIGHT: 233.28624
SMILES: COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
Structure:
CAS RN: 41190-18-5
CAS Name: (5S)-5-(2-methylpropyl)imidazolidine-2,4-dione
OPENEYE Name: (5S)-5-isobutylimidazolidine-2,4-dione
IUPAC Name: (5S)-5-(2-methylpropyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: (5S)-5-(2-methylpropyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: CC(C)C[C@H]1C(=O)NC(=O)N1
Structure:
CAS RN: 98834-08-3
CAS Name: 4-morpholinyl(1-piperazinyl)methanone
OPENEYE Name: morpholino(piperazin-1-yl)methanone
IUPAC Name: morpholin-4-yl(piperazin-1-yl)methanone
SYSTEMATIC NAME: morpholin-4-yl(piperazin-1-yl)methanone
MOLECULAR FORMULA: C9H17N3O2
MOLECULAR WEIGHT: 199.25018
SMILES: C1CN(CCN1)C(=O)N2CCOCC2
Structure:
CAS RN: 5906-49-0
CAS Name: 1-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-phenylethanone
OPENEYE Name: 1-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-phenyl-ethanone
IUPAC Name: 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone
SYSTEMATIC NAME: 1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-phenyl-ethanone
MOLECULAR FORMULA: C13H13BrN2O
MOLECULAR WEIGHT: 293.15912
SMILES: CC1=C(C(=NN1C(=O)CC2=CC=CC=C2)C)Br
Structure:
CAS RN: 59898-63-4
CAS Name: 5,6-dimethyl-3-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-benzyl-5,6-dimethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-benzyl-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5,6-dimethyl-3-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C15H14N2OS2
MOLECULAR WEIGHT: 302.41446
SMILES: CC1=C(SC2=C1C(=O)N(C(=S)N2)CC3=CC=CC=C3)C
Structure:
CAS RN: 19284-81-2
CAS Name: 2-[(2-nitrophenyl)thio]aniline
OPENEYE Name: 2-(2-nitrophenyl)sulfanylaniline
IUPAC Name: 2-(2-nitrophenyl)sulfanylaniline
SYSTEMATIC NAME: 2-(2-nitrophenyl)sulfanylaniline
MOLECULAR FORMULA: C12H10N2O2S
MOLECULAR WEIGHT: 246.285
SMILES: C1=CC=C(C(=C1)N)SC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 116758-61-3
CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]acetamide
OPENEYE Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]acetamide
IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]acetamide
SYSTEMATIC NAME: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]ethanamide
MOLECULAR FORMULA: C11H9N3O3S
MOLECULAR WEIGHT: 263.27246
SMILES: CC(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 32084-59-6
CAS Name: 6-bromo-1H-quinazolin-4-one
OPENEYE Name: 6-bromo-1H-quinazolin-4-one
IUPAC Name: 6-bromo-1H-quinazolin-4-one
SYSTEMATIC NAME: 6-bromanyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C8H5BrN2O
MOLECULAR WEIGHT: 225.0421
SMILES: C1=CC2=C(C=C1Br)C(=O)N=CN2
Structure:
CAS RN: 5484-20-8
CAS Name: 9H-xanthene-9-carbohydrazide
OPENEYE Name: 9H-xanthene-9-carbohydrazide
IUPAC Name: 9H-xanthene-9-carbohydrazide
SYSTEMATIC NAME: 9H-xanthene-9-carbohydrazide
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NN
Structure:
CAS RN: 5469-45-4
CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid
OPENEYE Name: (E)-2-acetamido-3-phenyl-prop-2-enoic acid
IUPAC Name: (E)-2-acetamido-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: (E)-2-acetamido-3-phenyl-prop-2-enoic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)O
Structure:
CAS RN: 55003-36-6
CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid
OPENEYE Name: (E)-2-acetamido-3-phenyl-prop-2-enoic acid
IUPAC Name: (E)-2-acetamido-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: (E)-2-acetamido-3-phenyl-prop-2-enoic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)O
Structure:
CAS RN: 34741-72-5
CAS Name: 1-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
OPENEYE Name: 1-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
IUPAC Name: 1-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C11H6F3NO2
MOLECULAR WEIGHT: 241.16605
SMILES: C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)C=CC2=O
Structure:
CAS RN: 188614-01-9
CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid methyl ester
OPENEYE Name: methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
IUPAC Name: methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SYSTEMATIC NAME: methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: COC(=O)C1=CC2=C(C=C1)SCC(=O)N2
Structure:
CAS RN: 14080-51-4
CAS Name: 2-amino-3-thiophenecarboxamide
OPENEYE Name: 2-aminothiophene-3-carboxamide
IUPAC Name: 2-aminothiophene-3-carboxamide
SYSTEMATIC NAME: 2-azanylthiophene-3-carboxamide
MOLECULAR FORMULA: C5H6N2OS
MOLECULAR WEIGHT: 142.17894
SMILES: C1=CSC(=C1C(=O)N)N
Structure:
CAS RN: 20886-87-7
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OPENEYE Name: 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
IUPAC Name: 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C11H13ClN2O2S
MOLECULAR WEIGHT: 272.75112
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)CCl)C(=O)N
Structure:
CAS RN: 623-20-1
CAS Name: (E)-3-(2-furanyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(2-furyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(furan-2-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(furan-2-yl)prop-2-enoate
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CCOC(=O)/C=C/C1=CC=CO1
Structure:
CAS RN: 830-09-1
CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)O
Structure:
CAS RN: 943-89-5
CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)O
Structure:
CAS RN: 29681-44-5
CAS Name: 5-bromo-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 5-bromopyridine-3-carboxylate
IUPAC Name: methyl 5-bromopyridine-3-carboxylate
SYSTEMATIC NAME: methyl 5-bromanylpyridine-3-carboxylate
MOLECULAR FORMULA: C7H6BrNO2
MOLECULAR WEIGHT: 216.03204
SMILES: COC(=O)C1=CC(=CN=C1)Br
Structure:
CAS RN: 84646-68-4
CAS Name: cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl cyclopent-3-ene-1,1-dicarboxylate
IUPAC Name: dimethyl cyclopent-3-ene-1,1-dicarboxylate
SYSTEMATIC NAME: dimethyl cyclopent-3-ene-1,1-dicarboxylate
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: COC(=O)C1(CC=CC1)C(=O)OC
Structure:
CAS RN: 71156-86-0
CAS Name: cyclopropane-1,2,3-tricarboxylic acid
OPENEYE Name: cyclopropane-1,2,3-tricarboxylic acid
IUPAC Name: cyclopropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: cyclopropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C6H6O6
MOLECULAR WEIGHT: 174.10824
SMILES: C1(C(C1C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 55852-54-5
CAS Name: 2-(5-propyl-1H-indol-3-yl)ethanamine
OPENEYE Name: 2-(5-propyl-1H-indol-3-yl)ethanamine
IUPAC Name: 2-(5-propyl-1H-indol-3-yl)ethanamine
SYSTEMATIC NAME: 2-(5-propyl-1H-indol-3-yl)ethanamine
MOLECULAR FORMULA: C13H18N2
MOLECULAR WEIGHT: 202.29542
SMILES: CCCC1=CC2=C(C=C1)NC=C2CCN
Structure:
CAS RN: 56039-55-5
CAS Name: (E)-3-(2-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)-2-propenamide
OPENEYE Name: (E)-3-(2-chlorophenyl)-N-(1,1-dimethylprop-2-ynyl)prop-2-enamide
IUPAC Name: (E)-3-(2-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)prop-2-enamide
MOLECULAR FORMULA: C14H14ClNO
MOLECULAR WEIGHT: 247.72006
SMILES: CC(C)(C#C)NC(=O)/C=C/C1=CC=CC=C1Cl
Structure:
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