CAS RN: 31336-34-2
CAS Name: (Z)-2-acetyl-2-hexenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-2-acetylhex-2-enoate
IUPAC Name: ethyl (Z)-2-acetylhex-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-ethanoylhex-2-enoate
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: CCC/C=C(/C(=O)C)\C(=O)OCC
Structure:
CAS RN: 14442-48-9
CAS Name: (Z)-2-cyano-3-phenyl-2-pentenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-2-cyano-3-phenyl-pent-2-enoate
IUPAC Name: ethyl (Z)-2-cyano-3-phenylpent-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-cyano-3-phenyl-pent-2-enoate
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC/C(=C(\C#N)/C(=O)OCC)/C1=CC=CC=C1
Structure:
CAS RN: 61792-46-9
CAS Name: (Z)-2-cyano-3-phenyl-2-octenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-2-cyano-3-phenyl-oct-2-enoate
IUPAC Name: ethyl (Z)-2-cyano-3-phenyloct-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-cyano-3-phenyl-oct-2-enoate
MOLECULAR FORMULA: C17H21NO2
MOLECULAR WEIGHT: 271.35414
SMILES: CCCCC/C(=C(\C#N)/C(=O)OCC)/C1=CC=CC=C1
Structure:
CAS RN: 6668-06-0
CAS Name: (E)-2-cyano-3,5-dimethyl-2-hexenoic acid methyl ester
OPENEYE Name: methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate
IUPAC Name: methyl (E)-2-cyano-3,5-dimethylhex-2-enoate
SYSTEMATIC NAME: methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CC(C)C/C(=C(\C#N)/C(=O)OC)/C
Structure:
CAS RN: 7509-88-8
CAS Name: (E)-3-(3-chlorophenyl)-3-ethoxy-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(3-chlorophenyl)-3-ethoxy-prop-2-enoate
IUPAC Name: ethyl (E)-3-(3-chlorophenyl)-3-ethoxyprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(3-chlorophenyl)-3-ethoxy-prop-2-enoate
MOLECULAR FORMULA: C13H15ClO3
MOLECULAR WEIGHT: 254.7094
SMILES: CCO/C(=C/C(=O)OCC)/C1=CC(=CC=C1)Cl
Structure:
CAS RN: 19848-15-8
CAS Name: (3E)-3-(2-furanylmethylidene)-4-oxopentanoic acid
OPENEYE Name: (3E)-3-(2-furylmethylene)-4-oxo-pentanoic acid
IUPAC Name: (3E)-3-(furan-2-ylmethylidene)-4-oxopentanoic acid
SYSTEMATIC NAME: (3E)-3-(furan-2-ylmethylidene)-4-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: CC(=O)/C(=C/C1=CC=CO1)/CC(=O)O
Structure:
CAS RN: 946-84-9
CAS Name: (E)-3-phenyl-2-propenoic acid 2-chloroethyl ester
OPENEYE Name: 2-chloroethyl (E)-3-phenylprop-2-enoate
IUPAC Name: 2-chloroethyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: 2-chloroethyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C11H11ClO2
MOLECULAR WEIGHT: 210.65684
SMILES: C1=CC=C(C=C1)/C=C/C(=O)OCCCl
Structure:
CAS RN: 2278-10-6
CAS Name: (3Z,5E)-4-hydroxy-6-phenyl-2-hexa-3,5-dienone
OPENEYE Name: (3Z,5E)-4-hydroxy-6-phenyl-hexa-3,5-dien-2-one
IUPAC Name: (3Z,5E)-4-hydroxy-6-phenylhexa-3,5-dien-2-one
SYSTEMATIC NAME: (3Z,5E)-4-oxidanyl-6-phenyl-hexa-3,5-dien-2-one
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC(=O)/C=C(/C=C/C1=CC=CC=C1)\O
Structure:
CAS RN: 3946-40-5
CAS Name: (6E)-6-[[(2-hydroxyphenyl)methylamino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[[(2-hydroxyphenyl)methylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[[(2-hydroxyphenyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[(2-hydroxyphenyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: C1=CC=C(C(=C1)CN/C=C/2\C=CC=CC2=O)O
Structure:
CAS RN: 71132-84-8
CAS Name: 6-[[2-(hydroxymethyl)anilino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[[2-(hydroxymethyl)anilino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[[2-(hydroxymethyl)anilino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[[2-(hydroxymethyl)phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: C1=CC=C(C(=C1)CO)NC=C2C=CC=CC2=O
Structure:
CAS RN: 13296-76-9
CAS Name: (9E,11E,13Z)-octadeca-9,11,13-trienoic acid
OPENEYE Name: (9E,11E,13Z)-octadeca-9,11,13-trienoic acid
IUPAC Name: (9E,11E,13Z)-octadeca-9,11,13-trienoic acid
SYSTEMATIC NAME: (9E,11E,13Z)-octadeca-9,11,13-trienoic acid
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: CCCC/C=C\C=C\C=C\CCCCCCCC(=O)O
Structure:
CAS RN: 7506-99-2
CAS Name: (E)-3-cyclohexyloxy-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(cyclohexoxy)prop-2-enoate
IUPAC Name: ethyl (E)-3-cyclohexyloxyprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-cyclohexyloxyprop-2-enoate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CCOC(=O)/C=C/OC1CCCCC1
Structure:
CAS RN: 7598-62-1
CAS Name: 1-[(Z)-2-cyano-3-hydrazinyl-3-oxoprop-1-enyl]-3-cyclohexylurea
OPENEYE Name: 1-[(Z)-2-cyano-3-hydrazino-3-oxo-prop-1-enyl]-3-cyclohexyl-urea
IUPAC Name: 1-[(Z)-2-cyano-3-hydrazinyl-3-oxoprop-1-enyl]-3-cyclohexylurea
SYSTEMATIC NAME: 1-[(Z)-2-cyano-3-diazanyl-3-oxidanylidene-prop-1-enyl]-3-cyclohexyl-urea
MOLECULAR FORMULA: C11H17N5O2
MOLECULAR WEIGHT: 251.28498
SMILES: C1CCC(CC1)NC(=O)N/C=C(/C#N)\C(=O)NN
Structure:
CAS RN: 7506-90-3
CAS Name: (2Z)-6-methylhepta-2,6-dienoic acid
OPENEYE Name: (2Z)-6-methylhepta-2,6-dienoic acid
IUPAC Name: (2Z)-6-methylhepta-2,6-dienoic acid
SYSTEMATIC NAME: (2Z)-6-methylhepta-2,6-dienoic acid
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC(=C)CC/C=C\C(=O)O
Structure:
CAS RN: 7595-75-7
CAS Name: (2Z)-3-ethoxy-4-methylpenta-2,4-dienoic acid ethyl ester
OPENEYE Name: ethyl (2Z)-3-ethoxy-4-methyl-penta-2,4-dienoate
IUPAC Name: ethyl (2Z)-3-ethoxy-4-methylpenta-2,4-dienoate
SYSTEMATIC NAME: ethyl (2Z)-3-ethoxy-4-methyl-penta-2,4-dienoate
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: CCO/C(=C\C(=O)OCC)/C(=C)C
Structure:
CAS RN: 64046-70-4
CAS Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5-methyl-4,5-dihydrooxazole
OPENEYE Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5-methyl-4,5-dihydrooxazole
IUPAC Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5-methyl-4,5-dihydro-1,3-oxazole
SYSTEMATIC NAME: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5-methyl-4,5-dihydro-1,3-oxazole
MOLECULAR FORMULA: C21H37NO
MOLECULAR WEIGHT: 319.52458
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC1=NCC(O1)C
Structure:
CAS RN: 7504-10-1
CAS Name: 2-[(8E,10E)-heptadeca-8,10-dienyl]-5-methyl-4,5-dihydrooxazole
OPENEYE Name: 2-[(8E,10E)-heptadeca-8,10-dienyl]-5-methyl-4,5-dihydrooxazole
IUPAC Name: 2-[(8E,10E)-heptadeca-8,10-dienyl]-5-methyl-4,5-dihydro-1,3-oxazole
SYSTEMATIC NAME: 2-[(8E,10E)-heptadeca-8,10-dienyl]-5-methyl-4,5-dihydro-1,3-oxazole
MOLECULAR FORMULA: C21H37NO
MOLECULAR WEIGHT: 319.52458
SMILES: CCCCCC/C=C/C=C/CCCCCCCC1=NCC(O1)C
Structure:
CAS RN: 7499-42-5
CAS Name: acetic acid [(E)-[2-(2-naphthalenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]methyl] ester
OPENEYE Name: [(E)-[2-(2-naphthyl)tetralin-1-ylidene]methyl] acetate
IUPAC Name: [(E)-(2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)methyl] acetate
SYSTEMATIC NAME: [(E)-(2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)methyl] ethanoate
MOLECULAR FORMULA: C23H20O2
MOLECULAR WEIGHT: 328.4037
SMILES: CC(=O)O/C=C/1\C(CCC2=CC=CC=C21)C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 7499-35-6
CAS Name: (2E)-2-[2-(2-naphthalenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]acetic acid
OPENEYE Name: (2E)-2-[2-(2-naphthyl)tetralin-1-ylidene]acetic acid
IUPAC Name: (2E)-2-(2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
SYSTEMATIC NAME: (2E)-2-(2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)ethanoic acid
MOLECULAR FORMULA: C22H18O2
MOLECULAR WEIGHT: 314.37712
SMILES: C1CC2=CC=CC=C2/C(=C/C(=O)O)/C1C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 7498-82-0
CAS Name: [(E)-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-ylideneamino]urea
OPENEYE Name: [(E)-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-ylideneamino]urea
IUPAC Name: [(E)-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-ylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-ylideneamino]urea
MOLECULAR FORMULA: C15H19N3O
MOLECULAR WEIGHT: 257.33086
SMILES: C1CCC2C(C1)C/C(=N\NC(=O)N)/C3=CC=CC=C23
Structure:
CAS RN: 7498-69-3
CAS Name: (E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-propenoic acid
OPENEYE Name: (E)-3-tetralin-6-ylprop-2-enoic acid
IUPAC Name: (E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C13H14O2
MOLECULAR WEIGHT: 202.24906
SMILES: C1CCC2=C(C1)C=CC(=C2)/C=C/C(=O)O
Structure:
CAS RN: 7509-46-8
CAS Name: (Z)-2-[(6-formyl-1,3-benzodioxol-5-yl)amino]-2-butenedioic acid dimethyl ester
OPENEYE Name: dimethyl (Z)-2-[(6-formyl-1,3-benzodioxol-5-yl)amino]but-2-enedioate
IUPAC Name: dimethyl (Z)-2-[(6-formyl-1,3-benzodioxol-5-yl)amino]but-2-enedioate
SYSTEMATIC NAME: dimethyl (Z)-2-[(6-methanoyl-1,3-benzodioxol-5-yl)amino]but-2-enedioate
MOLECULAR FORMULA: C14H13NO7
MOLECULAR WEIGHT: 307.25552
SMILES: COC(=O)/C=C(/C(=O)OC)\NC1=CC2=C(C=C1C=O)OCO2
Structure:
CAS RN: 3482-19-7
CAS Name: 5-[(4-bromoanilino)hydrazinylidene]-4-imidazolecarboxamide
OPENEYE Name: 5-[(4-bromoanilino)hydrazono]imidazole-4-carboxamide
IUPAC Name: 5-[(4-bromoanilino)hydrazinylidene]imidazole-4-carboxamide
SYSTEMATIC NAME: 5-[[(4-bromophenyl)amino]hydrazinylidene]imidazole-4-carboxamide
MOLECULAR FORMULA: C10H9BrN6O
MOLECULAR WEIGHT: 309.12206
SMILES: C1=CC(=CC=C1NNN=C2C(=NC=N2)C(=O)N)Br
Structure:
CAS RN: 5594-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N4O5
MOLECULAR WEIGHT: 606.71072
SMILES: CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC)C4=N3)C(=O)OC)C
Structure:
CAS RN: 7596-47-6
CAS Name: (Z)-5-bromo-4-hydroxy-2-hexenoic acid
OPENEYE Name: (Z)-5-bromo-4-hydroxy-hex-2-enoic acid
IUPAC Name: (Z)-5-bromo-4-hydroxyhex-2-enoic acid
SYSTEMATIC NAME: (Z)-5-bromanyl-4-oxidanyl-hex-2-enoic acid
MOLECULAR FORMULA: C6H9BrO3
MOLECULAR WEIGHT: 209.03786
SMILES: CC(C(/C=C\C(=O)O)O)Br
Structure:
CAS RN: 7506-74-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24O5
MOLECULAR WEIGHT: 320.38016
SMILES: C/C/1=C\C(C2C(CC3(C(O3)CC1)C)OC(=O)C24CC4)OC(=O)C
Structure:
CAS RN: 7506-63-0
CAS Name: (E)-2-(4-nitrophenyl)ethenesulfonyl chloride
OPENEYE Name: (E)-2-(4-nitrophenyl)ethenesulfonyl chloride
IUPAC Name: (E)-2-(4-nitrophenyl)ethenesulfonyl chloride
SYSTEMATIC NAME: (E)-2-(4-nitrophenyl)ethenesulfonyl chloride
MOLECULAR FORMULA: C8H6ClNO4S
MOLECULAR WEIGHT: 247.65554
SMILES: C1=CC(=CC=C1/C=C/S(=O)(=O)Cl)[N+](=O)[O-]
Structure:
CAS RN: 621-66-9
CAS Name: 2-methyl-4-(phenylhydrazinylidene)-1-cyclohexa-2,5-dienone
OPENEYE Name: 2-methyl-4-(phenylhydrazono)cyclohexa-2,5-dien-1-one
IUPAC Name: 2-methyl-4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2-methyl-4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: CC1=CC(=NNC2=CC=CC=C2)C=CC1=O
Structure:
CAS RN: 7497-85-0
CAS Name: (E)-9-octadecenoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester
OPENEYE Name: [2-oxo-2-(4-phenylphenyl)ethyl] (E)-octadec-9-enoate
IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C32H44O3
MOLECULAR WEIGHT: 476.68996
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
Structure:
CAS RN: 20052-98-6
CAS Name: 5-(1-pyrrolidinylhydrazinylidene)-4-imidazolecarboxamide
OPENEYE Name: 5-(pyrrolidin-1-ylhydrazono)imidazole-4-carboxamide
IUPAC Name: 5-(pyrrolidin-1-ylhydrazinylidene)imidazole-4-carboxamide
SYSTEMATIC NAME: 5-(pyrrolidin-1-ylhydrazinylidene)imidazole-4-carboxamide
MOLECULAR FORMULA: C8H12N6O
MOLECULAR WEIGHT: 208.22048
SMILES: C1CCN(C1)NN=C2C(=NC=N2)C(=O)N
Structure:
CAS RN: 20052-97-5
CAS Name: 5-(1-piperidinylhydrazinylidene)-4-imidazolecarboxamide
OPENEYE Name: 5-(1-piperidylhydrazono)imidazole-4-carboxamide
IUPAC Name: 5-(piperidin-1-ylhydrazinylidene)imidazole-4-carboxamide
SYSTEMATIC NAME: 5-(piperidin-1-ylhydrazinylidene)imidazole-4-carboxamide
MOLECULAR FORMULA: C9H14N6O
MOLECULAR WEIGHT: 222.24706
SMILES: C1CCN(CC1)NN=C2C(=NC=N2)C(=O)N
Structure:
CAS RN: 5663-14-9
CAS Name: 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
OPENEYE Name: 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
IUPAC Name: 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
SYSTEMATIC NAME: 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
MOLECULAR FORMULA: C8H13NO4
MOLECULAR WEIGHT: 187.19312
SMILES: C/C=C/C1OCC(CO1)(C)[N+](=O)[O-]
Structure:
CAS RN: 2089-33-0
CAS Name: 1-(4-methylphenyl)ethanone oxime
OPENEYE Name: 1-(p-tolyl)ethanone oxime
IUPAC Name: (NZ)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=CC=C(C=C1)/C(=N\O)/C
Structure:
CAS RN: 10352-87-1
CAS Name: (Z)-2-butenoic acid propyl ester
OPENEYE Name: propyl (Z)-but-2-enoate
IUPAC Name: propyl (Z)-but-2-enoate
SYSTEMATIC NAME: propyl (Z)-but-2-enoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCCOC(=O)/C=C\C
Structure:
CAS RN: 56253-89-5
CAS Name: (E)-3-phenyl-2-propenoic acid hexadecyl ester
OPENEYE Name: hexadecyl (E)-3-phenylprop-2-enoate
IUPAC Name: hexadecyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: hexadecyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C25H40O2
MOLECULAR WEIGHT: 372.5839
SMILES: CCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 7492-44-6
CAS Name: (2E)-2-(phenylmethylene)hexanal
OPENEYE Name: (2E)-2-benzylidenehexanal
IUPAC Name: (2E)-2-benzylidenehexanal
SYSTEMATIC NAME: (2E)-2-(phenylmethylidene)hexanal
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: CCCC/C(=C\C1=CC=CC=C1)/C=O
Structure:
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