CAS RN: 89807-54-5
CAS Name: (E)-1-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)-2-propen-1-one
OPENEYE Name: (E)-3-(4-isopropylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(4-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: CC(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 84922-00-9
CAS Name: (E)-1-(2,4-dimethylphenyl)-3-(2-furanyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2,4-dimethylphenyl)-3-(2-furyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2,4-dimethylphenyl)-3-(furan-2-yl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,4-dimethylphenyl)-3-(furan-2-yl)prop-2-en-1-one
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CO2)C
Structure:
CAS RN: 78266-66-7
CAS Name: N-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamate
IUPAC Name: ethyl N-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamate
SYSTEMATIC NAME: ethyl N-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamate
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CCOC(=O)NNC=C1C=CC(=O)C=C1
Structure:
CAS RN: 42864-53-9
CAS Name: (Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)-2-propenamide
OPENEYE Name: (Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name: (Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (Z)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C13H14N2O4
MOLECULAR WEIGHT: 262.26126
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C(/C#N)\C(=O)N
Structure:
CAS RN: 52601-57-7
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-naphthalenyl)-2-propen-1-one
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2-naphthyl)prop-2-en-1-one
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-1-naphthalen-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C20H14O3
MOLECULAR WEIGHT: 302.32336
SMILES: C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 4668-08-0
CAS Name: 1,2,3-trimethoxy-4-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 1,2,3-trimethoxy-4-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1,2,3-trimethoxy-4-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 1,2,3-trimethoxy-4-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C11H13NO5
MOLECULAR WEIGHT: 239.22462
SMILES: COC1=C(C(=C(C=C1)/C=C/[N+](=O)[O-])OC)OC
Structure:
CAS RN: 64960-87-8
CAS Name: 2,3-dimethyl-5-[[(E)-octadec-9-enyl]amino]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethyl-5-[[(E)-octadec-9-enyl]amino]-1,4-benzoquinone
IUPAC Name: 2,3-dimethyl-5-[[(E)-octadec-9-enyl]amino]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethyl-5-[[(E)-octadec-9-enyl]amino]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C26H43NO2
MOLECULAR WEIGHT: 401.62512
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC(=O)C(=C(C1=O)C)C
Structure:
CAS RN: 6599-84-4
CAS Name: 2-[[[5-(4-morpholinylmethyl)-2-oxo-3-oxazolidinyl]amino]methylidene]-4-oxo-5-furo[2,3-b]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[[5-(morpholinomethyl)-2-oxo-oxazolidin-3-yl]amino]methylene]-4-oxo-furo[2,3-b]pyridine-5-carboxylate
IUPAC Name: ethyl 2-[[[5-(morpholin-4-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]amino]methylidene]-4-oxofuro[2,3-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 2-[[[5-(morpholin-4-ylmethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]amino]methylidene]-4-oxidanylidene-furo[2,3-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C19H22N4O7
MOLECULAR WEIGHT: 418.40058
SMILES: CCOC(=O)C1=CN=C2C(=CC(=CNN3CC(OC3=O)CN4CCOCC4)O2)C1=O
Structure:
CAS RN: 40199-40-4
CAS Name: 2-amino-6-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-1H-pyrimidin-4-one
OPENEYE Name: 2-amino-6-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-1H-pyrimidin-4-one
IUPAC Name: 2-amino-6-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H9N5O2
MOLECULAR WEIGHT: 231.21076
SMILES: C1=CC(=O)C=CC1=NNC2=CC(=O)N=C(N2)N
Structure:
CAS RN: 50499-79-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H52ClN3O12
MOLECULAR WEIGHT: 778.28538
SMILES: CC1C2CC(C(/C=C/C=C(/C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)C(C)C)C)OC(=O)C)\C)OC)(NC(=O)O2)O
Structure:
CAS RN: 38562-01-5
CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; (E)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C24H45NO8
MOLECULAR WEIGHT: 475.616
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O
Structure:
CAS RN: 42151-35-9
CAS Name: (E)-3-methoxycarbonyl-4-(4-methoxyphenyl)-3-butenoic acid
OPENEYE Name: (E)-3-methoxycarbonyl-4-(4-methoxyphenyl)but-3-enoic acid
IUPAC Name: (E)-3-methoxycarbonyl-4-(4-methoxyphenyl)but-3-enoic acid
SYSTEMATIC NAME: (E)-3-methoxycarbonyl-4-(4-methoxyphenyl)but-3-enoic acid
MOLECULAR FORMULA: C13H14O5
MOLECULAR WEIGHT: 250.24726
SMILES: COC1=CC=C(C=C1)/C=C(\CC(=O)O)/C(=O)OC
Structure:
CAS RN: 84736-28-7
CAS Name: (Z)-4-(1,3-benzodioxol-5-yl)-3-methoxycarbonyl-3-butenoic acid
OPENEYE Name: (Z)-4-(1,3-benzodioxol-5-yl)-3-methoxycarbonyl-but-3-enoic acid
IUPAC Name: (Z)-4-(1,3-benzodioxol-5-yl)-3-methoxycarbonylbut-3-enoic acid
SYSTEMATIC NAME: (Z)-4-(1,3-benzodioxol-5-yl)-3-methoxycarbonyl-but-3-enoic acid
MOLECULAR FORMULA: C13H12O6
MOLECULAR WEIGHT: 264.23078
SMILES: COC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/CC(=O)O
Structure:
CAS RN: 65200-27-3
CAS Name: (Z)-3-thiocyanato-2-propenoic acid
OPENEYE Name: (Z)-3-thiocyanatoprop-2-enoic acid
IUPAC Name: (Z)-3-thiocyanatoprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-thiocyanatoprop-2-enoic acid
MOLECULAR FORMULA: C4H3NO2S
MOLECULAR WEIGHT: 129.13712
SMILES: C(=C\SC#N)\C(=O)O
Structure:
CAS RN: 16491-31-9
CAS Name: 3-methyl-2-butenoic acid [(2E,4Z)-hexa-2,4-dienyl] ester
OPENEYE Name: [(2E,4Z)-hexa-2,4-dienyl] 3-methylbut-2-enoate
IUPAC Name: [(2E,4Z)-hexa-2,4-dienyl] 3-methylbut-2-enoate
SYSTEMATIC NAME: [(2E,4Z)-hexa-2,4-dienyl] 3-methylbut-2-enoate
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: C/C=C\C=C\COC(=O)C=C(C)C
Structure:
CAS RN: 16558-19-3
CAS Name: 2-ethoxybenzoic acid [(2Z,4E)-hexa-2,4-dienyl] ester
OPENEYE Name: [(2Z,4E)-hexa-2,4-dienyl] 2-ethoxybenzoate
IUPAC Name: [(2Z,4E)-hexa-2,4-dienyl] 2-ethoxybenzoate
SYSTEMATIC NAME: [(2Z,4E)-hexa-2,4-dienyl] 2-ethoxybenzoate
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: CCOC1=CC=CC=C1C(=O)OC/C=C\C=C\C
Structure:
CAS RN: 41519-28-2
CAS Name: 2,2-dimethylpentanoic acid [(2Z,4E)-hexa-2,4-dienyl] ester
OPENEYE Name: [(2Z,4E)-hexa-2,4-dienyl] 2,2-dimethylpentanoate
IUPAC Name: [(2Z,4E)-hexa-2,4-dienyl] 2,2-dimethylpentanoate
SYSTEMATIC NAME: [(2Z,4E)-hexa-2,4-dienyl] 2,2-dimethylpentanoate
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CCCC(C)(C)C(=O)OC/C=C\C=C\C
Structure:
CAS RN: 16491-24-0
CAS Name: 2-methylpropanoic acid [(2Z,4E)-hexa-2,4-dienyl] ester
OPENEYE Name: [(2Z,4E)-hexa-2,4-dienyl] 2-methylpropanoate
IUPAC Name: [(2Z,4E)-hexa-2,4-dienyl] 2-methylpropanoate
SYSTEMATIC NAME: [(2Z,4E)-hexa-2,4-dienyl] 2-methylpropanoate
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: C/C=C/C=C\COC(=O)C(C)C
Structure:
CAS RN: 41519-29-3
CAS Name: cyclopentanecarboxylic acid [(2Z,4E)-hexa-2,4-dienyl] ester
OPENEYE Name: [(2Z,4E)-hexa-2,4-dienyl] cyclopentanecarboxylate
IUPAC Name: [(2Z,4E)-hexa-2,4-dienyl] cyclopentanecarboxylate
SYSTEMATIC NAME: [(2Z,4E)-hexa-2,4-dienyl] cyclopentanecarboxylate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: C/C=C/C=C\COC(=O)C1CCCC1
Structure:
CAS RN: 16491-26-2
CAS Name: 3-methylbutanoic acid [(2E,4Z)-hexa-2,4-dienyl] ester
OPENEYE Name: [(2E,4Z)-hexa-2,4-dienyl] 3-methylbutanoate
IUPAC Name: [(2E,4Z)-hexa-2,4-dienyl] 3-methylbutanoate
SYSTEMATIC NAME: [(2E,4Z)-hexa-2,4-dienyl] 3-methylbutanoate
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: C/C=C\C=C\COC(=O)CC(C)C
Structure:
CAS RN: 41519-41-9
CAS Name: cyclopropanecarboxylic acid [(2Z,4E)-hexa-2,4-dienyl] ester
OPENEYE Name: [(2Z,4E)-hexa-2,4-dienyl] cyclopropanecarboxylate
IUPAC Name: [(2Z,4E)-hexa-2,4-dienyl] cyclopropanecarboxylate
SYSTEMATIC NAME: [(2Z,4E)-hexa-2,4-dienyl] cyclopropanecarboxylate
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: C/C=C/C=C\COC(=O)C1CC1
Structure:
CAS RN: 16491-25-1
CAS Name: propanoic acid [(2Z,4E)-hexa-2,4-dienyl] ester
OPENEYE Name: [(2Z,4E)-hexa-2,4-dienyl] propanoate
IUPAC Name: [(2Z,4E)-hexa-2,4-dienyl] propanoate
SYSTEMATIC NAME: [(2Z,4E)-hexa-2,4-dienyl] propanoate
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CCC(=O)OC/C=C\C=C\C
Structure:
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