CAS RN: 21240-67-5
CAS Name: 3,5,11-trimethyl-6H-pyrido[4,3-b]carbazole
OPENEYE Name: 3,5,11-trimethyl-6H-pyrido[4,3-b]carbazole
IUPAC Name: 3,5,11-trimethyl-6H-pyrido[4,3-b]carbazole
SYSTEMATIC NAME: 3,5,11-trimethyl-6H-pyrido[4,3-b]carbazole
MOLECULAR FORMULA: C18H16N2
MOLECULAR WEIGHT: 260.33304
SMILES: CC1=NC=C2C(=C3C4=CC=CC=C4NC3=C(C2=C1)C)C
Structure:
CAS RN: 4386-25-8
CAS Name: 5-chloro-2-hydroxy-3-[2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonic acid
OPENEYE Name: 5-chloro-2-hydroxy-3-[2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonic acid
IUPAC Name: 5-chloro-2-hydroxy-3-[2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-chloranyl-2-oxidanyl-3-[2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid
MOLECULAR FORMULA: C12H9ClN2O6S
MOLECULAR WEIGHT: 344.72766
SMILES: C1=CC(=NNC2=CC(=CC(=C2O)S(=O)(=O)O)Cl)C(=CC1=O)O
Structure:
CAS RN: 22497-20-7
CAS Name: 1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(1H-indazol-6-yl)thiourea
OPENEYE Name: 1-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indazol-6-yl)thiourea
IUPAC Name: 1-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indazol-6-yl)thiourea
SYSTEMATIC NAME: 1-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indazol-6-yl)thiourea
MOLECULAR FORMULA: C15H12BrN5OS
MOLECULAR WEIGHT: 390.25768
SMILES: C1=CC2=C(C=C1NC(=S)NNC=C3C=C(C=CC3=O)Br)NN=C2
Structure:
CAS RN: 2276-40-6
CAS Name: (Z)-3-mercapto-1,3-diphenyl-2-propen-1-one
OPENEYE Name: (Z)-1,3-diphenyl-3-sulfanyl-prop-2-en-1-one
IUPAC Name: (Z)-1,3-diphenyl-3-sulfanylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-1,3-diphenyl-3-sulfanyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H12OS
MOLECULAR WEIGHT: 240.32018
SMILES: C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/S
Structure:
CAS RN: 61520-36-3
CAS Name: (Z)-3-mercapto-1,3-diphenyl-2-propen-1-one
OPENEYE Name: (Z)-1,3-diphenyl-3-sulfanyl-prop-2-en-1-one
IUPAC Name: (Z)-1,3-diphenyl-3-sulfanylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-1,3-diphenyl-3-sulfanyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H12OS
MOLECULAR WEIGHT: 240.32018
SMILES: C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/S
Structure:
CAS RN: 43221-20-1
CAS Name: [[(1E)-1-(2,6-dioxo-5-pyrimidinylidene)ethyl]amino]thiourea
OPENEYE Name: [[(1E)-1-(2,6-dioxopyrimidin-5-ylidene)ethyl]amino]thiourea
IUPAC Name: [[(1E)-1-(2,6-dioxopyrimidin-5-ylidene)ethyl]amino]thiourea
SYSTEMATIC NAME: 1-[[(1E)-1-[2,6-bis(oxidanylidene)pyrimidin-5-ylidene]ethyl]amino]thiourea
MOLECULAR FORMULA: C7H9N5O2S
MOLECULAR WEIGHT: 227.24366
SMILES: C/C(=C\1/C=NC(=O)NC1=O)/NNC(=S)N
Structure:
CAS RN: 36568-18-0
CAS Name: 3-(4-chlorophenyl)-2-propenoic acid 4-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enoxy]butyl ester
OPENEYE Name: 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxybutyl 3-(4-chlorophenyl)prop-2-enoate
IUPAC Name: 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxybutyl 3-(4-chlorophenyl)prop-2-enoate
SYSTEMATIC NAME: 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxybutyl 3-(4-chlorophenyl)prop-2-enoate
MOLECULAR FORMULA: C22H20Cl2O4
MOLECULAR WEIGHT: 419.2978
SMILES: C1=CC(=CC=C1C=CC(=O)OCCCCOC(=O)/C=C/C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 36568-20-4
CAS Name: 3-(4-nitrophenyl)-2-propenoic acid 4-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enoxy]butyl ester
OPENEYE Name: 4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybutyl 3-(4-nitrophenyl)prop-2-enoate
IUPAC Name: 4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybutyl 3-(4-nitrophenyl)prop-2-enoate
SYSTEMATIC NAME: 4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybutyl 3-(4-nitrophenyl)prop-2-enoate
MOLECULAR FORMULA: C22H20N2O8
MOLECULAR WEIGHT: 440.4028
SMILES: C1=CC(=CC=C1C=CC(=O)OCCCCOC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 36568-17-9
CAS Name: 3-(4-methylphenyl)-2-propenoic acid 4-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enoxy]butyl ester
OPENEYE Name: 4-[(E)-3-(p-tolyl)prop-2-enoyl]oxybutyl 3-(p-tolyl)prop-2-enoate
IUPAC Name: 4-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxybutyl 3-(4-methylphenyl)prop-2-enoate
SYSTEMATIC NAME: 4-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxybutyl 3-(4-methylphenyl)prop-2-enoate
MOLECULAR FORMULA: C24H26O4
MOLECULAR WEIGHT: 378.46084
SMILES: CC1=CC=C(C=C1)C=CC(=O)OCCCCOC(=O)/C=C/C2=CC=C(C=C2)C
Structure:
CAS RN: 36568-16-8
CAS Name: 3-(4-methoxyphenyl)-2-propenoic acid 4-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enoxy]butyl ester
OPENEYE Name: 4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxybutyl 3-(4-methoxyphenyl)prop-2-enoate
IUPAC Name: 4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxybutyl 3-(4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: 4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxybutyl 3-(4-methoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C24H26O6
MOLECULAR WEIGHT: 410.45964
SMILES: COC1=CC=C(C=C1)C=CC(=O)OCCCCOC(=O)/C=C/C2=CC=C(C=C2)OC
Structure:
CAS RN: 14656-26-9
CAS Name: (E)-2-diethoxyphosphoryl-3-(3,4-dimethoxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-diethoxyphosphoryl-3-(3,4-dimethoxyphenyl)prop-2-enoate
IUPAC Name: ethyl (E)-2-diethoxyphosphoryl-3-(3,4-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-diethoxyphosphoryl-3-(3,4-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C17H25O7P
MOLECULAR WEIGHT: 372.349961
SMILES: CCOC(=O)/C(=C\C1=CC(=C(C=C1)OC)OC)/P(=O)(OCC)OCC
Structure:
CAS RN: 14656-24-7
CAS Name: (E)-2-diethoxyphosphoryl-3-(4-methylphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-diethoxyphosphoryl-3-(p-tolyl)prop-2-enoate
IUPAC Name: ethyl (E)-2-diethoxyphosphoryl-3-(4-methylphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-diethoxyphosphoryl-3-(4-methylphenyl)prop-2-enoate
MOLECULAR FORMULA: C16H23O5P
MOLECULAR WEIGHT: 326.324581
SMILES: CCOC(=O)/C(=C\C1=CC=C(C=C1)C)/P(=O)(OCC)OCC
Structure:
CAS RN: 73855-59-1
CAS Name: 5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-(1H-indol-3-ylmethylene)-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-(1H-indol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C12H8N2OS2
MOLECULAR WEIGHT: 260.33472
SMILES: C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)NC(=S)S3
Structure:
CAS RN: 10521-96-7
CAS Name: acetic acid [(Z)-2-phenylethenyl] ester
OPENEYE Name: [(Z)-styryl] acetate
IUPAC Name: [(Z)-2-phenylethenyl] acetate
SYSTEMATIC NAME: [(Z)-2-phenylethenyl] ethanoate
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CC(=O)O/C=C\C1=CC=CC=C1
Structure:
CAS RN: 1566-67-2
CAS Name: acetic acid [(Z)-2-phenylethenyl] ester
OPENEYE Name: [(Z)-styryl] acetate
IUPAC Name: [(Z)-2-phenylethenyl] acetate
SYSTEMATIC NAME: [(Z)-2-phenylethenyl] ethanoate
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CC(=O)O/C=C\C1=CC=CC=C1
Structure:
CAS RN: 39273-61-5
CAS Name: (E)-1-(2-hydroxy-4-methoxyphenyl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-1-(2-hydroxy-4-methoxy-phenyl)-3-phenyl-prop-2-en-1-one
IUPAC Name: (E)-1-(2-hydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(4-methoxy-2-oxidanyl-phenyl)-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O
Structure:
CAS RN: 4263-47-2
CAS Name: acetic acid [17-[(Z)-1-ethoxy-3-oxoprop-1-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-[(Z)-1-ethoxy-3-oxo-prop-1-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [17-[(Z)-1-ethoxy-3-oxoprop-1-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [17-[(Z)-1-ethoxy-3-oxidanylidene-prop-1-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H38O4
MOLECULAR WEIGHT: 414.57752
SMILES: CCO/C(=C\C=O)/C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
Structure:
CAS RN: 23017-29-0
CAS Name: acetic acid [(17E)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(17E)-17-(cyanomethylene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(17E)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(17E)-17-(cyanomethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C23H33NO2
MOLECULAR WEIGHT: 355.51362
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC\4(C3CC/C4=C\C#N)C)C
Structure:
CAS RN: 73747-39-4
CAS Name: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione
OPENEYE Name: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione
IUPAC Name: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione
SYSTEMATIC NAME: 1,3,7-trimethyl-8-[(E)-prop-1-enyl]purine-2,6-dione
MOLECULAR FORMULA: C11H14N4O2
MOLECULAR WEIGHT: 234.25446
SMILES: C/C=C/C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 23251-67-4
CAS Name: (5Z)-5-hex-2-ynylidene-2-furanone
OPENEYE Name: (5Z)-5-hex-2-ynylidenefuran-2-one
IUPAC Name: (5Z)-5-hex-2-ynylidenefuran-2-one
SYSTEMATIC NAME: (5Z)-5-hex-2-ynylidenefuran-2-one
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CCCC#C/C=C\1/C=CC(=O)O1
Structure:
CAS RN: 81122-95-4
CAS Name: (5Z)-5-hex-2-ynylidene-2-furanone
OPENEYE Name: (5Z)-5-hex-2-ynylidenefuran-2-one
IUPAC Name: (5Z)-5-hex-2-ynylidenefuran-2-one
SYSTEMATIC NAME: (5Z)-5-hex-2-ynylidenefuran-2-one
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CCCC#C/C=C\1/C=CC(=O)O1
Structure:
CAS RN: 23251-68-5
CAS Name: (5Z)-5-[(E)-hex-4-en-2-ynylidene]-2-furanone
OPENEYE Name: (5Z)-5-[(E)-hex-4-en-2-ynylidene]furan-2-one
IUPAC Name: (5Z)-5-[(E)-hex-4-en-2-ynylidene]furan-2-one
SYSTEMATIC NAME: (5Z)-5-[(E)-hex-4-en-2-ynylidene]furan-2-one
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C/C=C/C#C/C=C\1/C=CC(=O)O1
Structure:
CAS RN: 27762-69-2
CAS Name: (5Z)-5-hexa-2,4-diynylidene-2-furanone
OPENEYE Name: (5Z)-5-hexa-2,4-diynylidenefuran-2-one
IUPAC Name: (5Z)-5-hexa-2,4-diynylidenefuran-2-one
SYSTEMATIC NAME: (5Z)-5-hexa-2,4-diynylidenefuran-2-one
MOLECULAR FORMULA: C10H6O2
MOLECULAR WEIGHT: 158.15344
SMILES: CC#CC#C/C=C\1/C=CC(=O)O1
Structure:
CAS RN: 14686-19-2
CAS Name: (5Z)-5-hexa-2,4-diynylidene-2-furanone
OPENEYE Name: (5Z)-5-hexa-2,4-diynylidenefuran-2-one
IUPAC Name: (5Z)-5-hexa-2,4-diynylidenefuran-2-one
SYSTEMATIC NAME: (5Z)-5-hexa-2,4-diynylidenefuran-2-one
MOLECULAR FORMULA: C10H6O2
MOLECULAR WEIGHT: 158.15344
SMILES: CC#CC#C/C=C\1/C=CC(=O)O1
Structure:
CAS RN: 24550-32-1
CAS Name: 1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene
OPENEYE Name: 1-benzyloxy-3-[(Z)-2-nitrovinyl]benzene
IUPAC Name: 1-[(Z)-2-nitroethenyl]-3-phenylmethoxybenzene
SYSTEMATIC NAME: 1-[(Z)-2-nitroethenyl]-3-phenylmethoxy-benzene
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C\[N+](=O)[O-]
Structure:
CAS RN: 1772-01-6
CAS Name: nitroso(1H-pyridin-2-ylidene)methanamine
OPENEYE Name: nitroso(1H-pyridin-2-ylidene)methanamine
IUPAC Name: nitroso(1H-pyridin-2-ylidene)methanamine
SYSTEMATIC NAME: nitroso(1H-pyridin-2-ylidene)methanamine
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: C1=CC(=C(N)N=O)NC=C1
Structure:
CAS RN: 13976-19-7
CAS Name: (5E)-5-[2-(phenylmethyl)-1H-1,2,4-triazol-3-ylidene]-4-imidazolamine
OPENEYE Name: (5E)-5-(2-benzyl-1H-1,2,4-triazol-3-ylidene)imidazol-4-amine
IUPAC Name: (5E)-5-(2-benzyl-1H-1,2,4-triazol-3-ylidene)imidazol-4-amine
SYSTEMATIC NAME: (5E)-5-[2-(phenylmethyl)-1H-1,2,4-triazol-3-ylidene]imidazol-4-amine
MOLECULAR FORMULA: C12H12N6
MOLECULAR WEIGHT: 240.26388
SMILES: C1=CC=C(C=C1)CN2/C(=C/3\C(=NC=N3)N)/N=CN2
Structure:
CAS RN: 21151-43-9
CAS Name: 6-[(2-thiazolylamino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[(thiazol-2-ylamino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[(1,3-thiazol-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[(1,3-thiazol-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C10H8N2OS
MOLECULAR WEIGHT: 204.24832
SMILES: C1=CC(=CNC2=NC=CS2)C(=O)C=C1
Structure:
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