CAS RN: 64000-76-6
CAS Name: 4-[(2,6-diamino-3-pyridinyl)hydrazinylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[(2,6-diamino-3-pyridyl)hydrazono]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[(2,6-diaminopyridin-3-yl)hydrazinylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[[2,6-bis(azanyl)pyridin-3-yl]hydrazinylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C11H11N5O
MOLECULAR WEIGHT: 229.23794
SMILES: C1=CC(=O)C=CC1=NNC2=C(N=C(C=C2)N)N
Structure:
CAS RN: 17014-43-6
CAS Name: 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one
OPENEYE Name: 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one
IUPAC Name: 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one
SYSTEMATIC NAME: 2,3-dimethoxy-1-oxidanyl-10H-acridin-9-one
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: COC1=C(C(=C2C(=C1)NC3=CC=CC=C3C2=O)O)OC
Structure:
CAS RN: 134867-97-3
CAS Name: 2-[(Z)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine
OPENEYE Name: 2-[(Z)-[(2-amino-5-chloro-phenyl)-phenyl-methylene]amino]guanidine
IUPAC Name: 2-[(Z)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine
SYSTEMATIC NAME: 2-[(Z)-[(2-azanyl-5-chloranyl-phenyl)-phenyl-methylidene]amino]guanidine
MOLECULAR FORMULA: C14H14ClN5
MOLECULAR WEIGHT: 287.74746
SMILES: C1=CC=C(C=C1)/C(=N/N=C(N)N)/C2=C(C=CC(=C2)Cl)N
Structure:
CAS RN: 4042-39-1
CAS Name: 4-hydroxy-3-[(E)-3-methylbut-1-enyl]naphthalene-1,2-dione
OPENEYE Name: 4-hydroxy-3-[(E)-3-methylbut-1-enyl]naphthalene-1,2-dione
IUPAC Name: 4-hydroxy-3-[(E)-3-methylbut-1-enyl]naphthalene-1,2-dione
SYSTEMATIC NAME: 3-[(E)-3-methylbut-1-enyl]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC(C)/C=C/C1=C(C2=CC=CC=C2C(=O)C1=O)O
Structure:
CAS RN: 24664-55-9
CAS Name: (4Z)-5-methyl-4-[[2-[[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]ethylamino]methylidene]-2-phenyl-3-pyrazolone
OPENEYE Name: (4Z)-5-methyl-4-[[2-[[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]amino]ethylamino]methylene]-2-phenyl-pyrazol-3-one
IUPAC Name: (4Z)-5-methyl-4-[[2-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]ethylamino]methylidene]-2-phenylpyrazol-3-one
SYSTEMATIC NAME: (4Z)-5-methyl-4-[[2-[[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]ethylamino]methylidene]-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C24H24N6O2
MOLECULAR WEIGHT: 428.48636
SMILES: CC\1=NN(C(=O)/C1=C\NCCN/C=C/2\C(=O)N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 12713-10-9
CAS Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
OPENEYE Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
IUPAC Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
SYSTEMATIC NAME: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
MOLECULAR FORMULA: C51H72O2
MOLECULAR WEIGHT: 717.11618
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 23482-64-6
CAS Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
OPENEYE Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
IUPAC Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
SYSTEMATIC NAME: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
MOLECULAR FORMULA: C51H72O2
MOLECULAR WEIGHT: 717.11618
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 523-38-6
CAS Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
OPENEYE Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
IUPAC Name: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
SYSTEMATIC NAME: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
MOLECULAR FORMULA: C51H72O2
MOLECULAR WEIGHT: 717.11618
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 98991-32-3
CAS Name: (E)-1-(4-bromophenyl)-3-(4-fluorophenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C15H10BrFO
MOLECULAR WEIGHT: 305.141703
SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Br)F
Structure:
CAS RN: 7570-37-8
CAS Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
OPENEYE Name: 4-[(E)-2-(4-methoxyphenyl)vinyl]aniline
IUPAC Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
SYSTEMATIC NAME: 4-[(E)-2-(4-methoxyphenyl)ethenyl]aniline
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N
Structure:
CAS RN: 788-23-8
CAS Name: (6E)-6-[(4-acetylanilino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[(4-acetylanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[(4-acetylanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[(4-ethanoylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: CC(=O)C1=CC=C(C=C1)N/C=C/2\C=CC=CC2=O
Structure:
CAS RN: 13026-23-8
CAS Name: (Z)-3-(4-phenylphenyl)-2-propenoic acid
OPENEYE Name: (Z)-3-(4-phenylphenyl)prop-2-enoic acid
IUPAC Name: (Z)-3-(4-phenylphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-(4-phenylphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C\C(=O)O
Structure:
CAS RN: 19157-66-5
CAS Name: 1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
OPENEYE Name: 1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
IUPAC Name: 1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
SYSTEMATIC NAME: 1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C/C(=C\C1=C(C=CC(=C1)OC)OC)/[N+](=O)[O-]
Structure:
CAS RN: 3166-13-0
CAS Name: 10-hydrazinylidene-9-anthracenone
OPENEYE Name: 10-hydrazinylideneanthracen-9-one
IUPAC Name: 10-hydrazinylideneanthracen-9-one
SYSTEMATIC NAME: 10-diazanylideneanthracen-9-one
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC=C2C(=C1)C(=NN)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5415-94-1
CAS Name: (E)-1-(4-methylphenyl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-phenyl-1-(p-tolyl)prop-2-en-1-one
IUPAC Name: (E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(4-methylphenyl)-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C16H14O
MOLECULAR WEIGHT: 222.28176
SMILES: CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 19037-69-5
CAS Name: 7-hydroxy-4-methyl-8-nitro-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-4-methyl-8-nitro-chromen-2-one
IUPAC Name: 7-hydroxy-4-methyl-8-nitrochromen-2-one
SYSTEMATIC NAME: 4-methyl-8-nitro-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C10H7NO5
MOLECULAR WEIGHT: 221.16628
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2[N+](=O)[O-])O
Structure:
CAS RN: 6258-73-7
CAS Name: [(Z)-2-methyl-4-phenylpent-3-en-2-yl]benzene
OPENEYE Name: [(Z)-1,1-dimethyl-3-phenyl-but-2-enyl]benzene
IUPAC Name: [(Z)-2-methyl-4-phenylpent-3-en-2-yl]benzene
SYSTEMATIC NAME: [(Z)-2-methyl-4-phenyl-pent-3-en-2-yl]benzene
MOLECULAR FORMULA: C18H20
MOLECULAR WEIGHT: 236.3514
SMILES: C/C(=C/C(C)(C)C1=CC=CC=C1)/C2=CC=CC=C2
Structure:
CAS RN: 495-45-4
CAS Name: (E)-1,3-diphenyl-2-buten-1-one
OPENEYE Name: (E)-1,3-diphenylbut-2-en-1-one
IUPAC Name: (E)-1,3-diphenylbut-2-en-1-one
SYSTEMATIC NAME: (E)-1,3-diphenylbut-2-en-1-one
MOLECULAR FORMULA: C16H14O
MOLECULAR WEIGHT: 222.28176
SMILES: C/C(=C\C(=O)C1=CC=CC=C1)/C2=CC=CC=C2
Structure:
CAS RN: 68459-99-4
CAS Name: (E)-4-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-1-penten-3-one
OPENEYE Name: (E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
IUPAC Name: (E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
SYSTEMATIC NAME: (E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CC1=CCCC(C1/C=C/C(=O)C(C)C)(C)C
Structure:
CAS RN: 14731-78-3
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: CCOC(=O)/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 24393-66-6
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: CCOC(=O)/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 4093-60-1
CAS Name: (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid ethyl ester
OPENEYE Name: ethyl (3Z)-3-[(2,4-dinitrophenyl)hydrazono]butanoate
IUPAC Name: ethyl (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
SYSTEMATIC NAME: ethyl (3Z)-3-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
MOLECULAR FORMULA: C12H14N4O6
MOLECULAR WEIGHT: 310.26276
SMILES: CCOC(=O)C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C
Structure:
CAS RN: 14348-23-3
CAS Name: 4,9-dihydroxy-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 4,9-dihydroxyfuro[3,2-g]chromen-7-one
IUPAC Name: 4,9-dihydroxyfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4,9-bis(oxidanyl)furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C11H6O5
MOLECULAR WEIGHT: 218.16234
SMILES: C1=CC(=O)OC2=C1C(=C3C=COC3=C2O)O
Structure:
CAS RN: 79950-85-9
CAS Name: (2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)-1-hexa-2,4-dienone
OPENEYE Name: (2E,4E)-1-(2,4-dihydroxy-3,5-dimethyl-phenyl)hexa-2,4-dien-1-one
IUPAC Name: (2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
SYSTEMATIC NAME: (2E,4E)-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: C/C=C/C=C/C(=O)C1=CC(=C(C(=C1O)C)O)C
Structure:
CAS RN: 29366-41-4
CAS Name: 4-hydroxy-3-[(E)-prop-1-enyl]naphthalene-1,2-dione
OPENEYE Name: 4-hydroxy-3-[(E)-prop-1-enyl]naphthalene-1,2-dione
IUPAC Name: 4-hydroxy-3-[(E)-prop-1-enyl]naphthalene-1,2-dione
SYSTEMATIC NAME: 4-oxidanyl-3-[(E)-prop-1-enyl]naphthalene-1,2-dione
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C/C=C/C1=C(C2=CC=CC=C2C(=O)C1=O)O
Structure:
CAS RN: 4714-23-2
CAS Name: 1-chloro-4-[(E)-2-phenylethenyl]benzene
OPENEYE Name: 1-chloro-4-[(E)-styryl]benzene
IUPAC Name: 1-chloro-4-[(E)-2-phenylethenyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[(E)-2-phenylethenyl]benzene
MOLECULAR FORMULA: C14H11Cl
MOLECULAR WEIGHT: 214.69014
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Cl
Structure:
CAS RN: 2910-81-8
CAS Name: (E)-1-phenyl-3-thiophen-2-yl-2-propen-1-one
OPENEYE Name: (E)-1-phenyl-3-(2-thienyl)prop-2-en-1-one
IUPAC Name: (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-phenyl-3-thiophen-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C13H10OS
MOLECULAR WEIGHT: 214.2829
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CS2
Structure:
CAS RN: 29366-43-6
CAS Name: 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione
OPENEYE Name: 3-[(E)-but-1-enyl]-4-hydroxy-naphthalene-1,2-dione
IUPAC Name: 3-[(E)-but-1-enyl]-4-hydroxynaphthalene-1,2-dione
SYSTEMATIC NAME: 3-[(E)-but-1-enyl]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: CC/C=C/C1=C(C2=CC=CC=C2C(=O)C1=O)O
Structure:
CAS RN: 14656-25-8
CAS Name: (E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enoate
IUPAC Name: ethyl (E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C16H23O6P
MOLECULAR WEIGHT: 342.323981
SMILES: CCOC(=O)/C(=C\C1=CC=C(C=C1)OC)/P(=O)(OCC)OCC
Structure:
CAS RN: 26908-38-3
CAS Name: 1H-pyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 1H-pyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 1H-pyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 1H-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C11H7N3O2
MOLECULAR WEIGHT: 213.19218
SMILES: C1=CC=C2C(=C1)C=C3C(=N2)NC(=O)NC3=O
Structure:
CAS RN: 60725-92-0
CAS Name: (E)-1-(4-chlorophenyl)-3-thiophen-2-yl-2-propen-1-one
OPENEYE Name: (E)-1-(4-chlorophenyl)-3-(2-thienyl)prop-2-en-1-one
IUPAC Name: (E)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(4-chlorophenyl)-3-thiophen-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C13H9ClOS
MOLECULAR WEIGHT: 248.72796
SMILES: C1=CSC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl
Structure:
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