CAS RN: 21323-18-2
CAS Name: 2,4-dichloro-6-[[[4-[(3,5-dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 2,4-dichloro-6-[[[4-[(3,5-dichloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 2,4-dichloro-6-[[[4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[[4-[[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]piperazin-1-yl]amino]methylidene]-2,4-bis(chloranyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H16Cl4N4O2
MOLECULAR WEIGHT: 462.15724
SMILES: C1CN(CCN1NC=C2C=C(C=C(C2=O)Cl)Cl)NC=C3C=C(C=C(C3=O)Cl)Cl
Structure:
CAS RN: 21323-19-3
CAS Name: 4-bromo-6-[[[4-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-bromo-6-[[[4-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 4-bromo-6-[[[4-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-bromanyl-6-[[[4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H18Br2N4O2
MOLECULAR WEIGHT: 482.16912
SMILES: C1CN(CCN1NC=C2C=C(C=CC2=O)Br)NC=C3C=C(C=CC3=O)Br
Structure:
CAS RN: 19730-31-5
CAS Name: 6-[[[4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[[[4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[[[4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[[4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H20N4O2
MOLECULAR WEIGHT: 324.377
SMILES: C1CN(CCN1NC=C2C=CC=CC2=O)NC=C3C=CC=CC3=O
Structure:
CAS RN: 21308-96-3
CAS Name: 8H-pyrimido[5,4-e][1,2,4]triazine-5-thione
OPENEYE Name: 8H-pyrimido[5,4-e][1,2,4]triazine-5-thione
IUPAC Name: 8H-pyrimido[5,4-e][1,2,4]triazine-5-thione
SYSTEMATIC NAME: 8H-pyrimido[5,4-e][1,2,4]triazine-5-thione
MOLECULAR FORMULA: C5H3N5S
MOLECULAR WEIGHT: 165.17582
SMILES: C1=NC(=S)C2=C(N1)N=NC=N2
Structure:
CAS RN: 1422-67-9
CAS Name: (Z)-5,5,6,6,7,7,7-heptafluoro-3-nitro-3-heptene
OPENEYE Name: (Z)-5,5,6,6,7,7,7-heptafluoro-3-nitro-hept-3-ene
IUPAC Name: (Z)-5,5,6,6,7,7,7-heptafluoro-3-nitrohept-3-ene
SYSTEMATIC NAME: (Z)-5,5,6,6,7,7,7-heptakis(fluoranyl)-3-nitro-hept-3-ene
MOLECULAR FORMULA: C7H6F7NO2
MOLECULAR WEIGHT: 269.116862
SMILES: CC/C(=C/C(C(C(F)(F)F)(F)F)(F)F)/[N+](=O)[O-]
Structure:
CAS RN: 2732-17-4
CAS Name: 7-hydroxy-8-methyl-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-8-methyl-chromen-2-one
IUPAC Name: 7-hydroxy-8-methylchromen-2-one
SYSTEMATIC NAME: 8-methyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C10H8O3
MOLECULAR WEIGHT: 176.16872
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2)O
Structure:
CAS RN: 2859-88-3
CAS Name: 7-hydroxy-2-methyl-3-phenyl-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-2-methyl-3-phenyl-chromen-4-one
IUPAC Name: 7-hydroxy-2-methyl-3-phenylchromen-4-one
SYSTEMATIC NAME: 2-methyl-7-oxidanyl-3-phenyl-chromen-4-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 63547-59-1
CAS Name: N-[(1E)-1-(2-pyrrolylidene)ethyl]hydroxylamine
OPENEYE Name: N-[(1E)-1-pyrrol-2-ylideneethyl]hydroxylamine
IUPAC Name: N-[(1E)-1-pyrrol-2-ylideneethyl]hydroxylamine
SYSTEMATIC NAME: N-[(1E)-1-pyrrol-2-ylideneethyl]hydroxylamine
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: C/C(=C\1/C=CC=N1)/NO
Structure:
CAS RN: 35712-84-6
CAS Name: 4-nitrobenzoic acid [(5Z)-1-cyclodec-5-enyl] ester
OPENEYE Name: [(5Z)-cyclodec-5-en-1-yl] 4-nitrobenzoate
IUPAC Name: [(5Z)-cyclodec-5-en-1-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [(5Z)-cyclodec-5-en-1-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: C1CCC(CCC/C=C\C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 19860-04-9
CAS Name: 6-[[4-(methylthio)anilino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[(4-methylsulfanylanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[(4-methylsulfanylanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[(4-methylsulfanylphenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H13NOS
MOLECULAR WEIGHT: 243.32412
SMILES: CSC1=CC=C(C=C1)NC=C2C=CC=CC2=O
Structure:
CAS RN: 10074-51-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H26O3S
MOLECULAR WEIGHT: 322.46224
SMILES: CCCCS/C=C/1\CC2C3C(C1=O)(CCCC3(C(=O)O2)C)C
Structure:
CAS RN: 58795-15-6
CAS Name: 7-methyl-1H-pyrrolo[2,3-c]pyridine-2,3-dicarboxylic acid
OPENEYE Name: 7-methyl-1H-pyrrolo[2,3-c]pyridine-2,3-dicarboxylic acid
IUPAC Name: 7-methyl-1H-pyrrolo[2,3-c]pyridine-2,3-dicarboxylic acid
SYSTEMATIC NAME: 7-methyl-1H-pyrrolo[2,3-c]pyridine-2,3-dicarboxylic acid
MOLECULAR FORMULA: C10H8N2O4
MOLECULAR WEIGHT: 220.18152
SMILES: CC1=NC=CC2=C1NC(=C2C(=O)O)C(=O)O
Structure:
CAS RN: 16504-66-8
CAS Name: (Z)-7-decen-1-ol
OPENEYE Name: (Z)-dec-7-en-1-ol
IUPAC Name: (Z)-dec-7-en-1-ol
SYSTEMATIC NAME: (Z)-dec-7-en-1-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CC/C=C\CCCCCCO
Structure:
CAS RN: 52957-12-7
CAS Name: (Z)-7-decen-1-ol
OPENEYE Name: (Z)-dec-7-en-1-ol
IUPAC Name: (Z)-dec-7-en-1-ol
SYSTEMATIC NAME: (Z)-dec-7-en-1-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CC/C=C\CCCCCCO
Structure:
CAS RN: 30932-95-7
CAS Name: (2E,4Z)-5,9-dimethyldeca-2,4,8-trienoic acid ethyl ester
OPENEYE Name: ethyl (2E,4Z)-5,9-dimethyldeca-2,4,8-trienoate
IUPAC Name: ethyl (2E,4Z)-5,9-dimethyldeca-2,4,8-trienoate
SYSTEMATIC NAME: ethyl (2E,4Z)-5,9-dimethyldeca-2,4,8-trienoate
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: CCOC(=O)/C=C/C=C(/C)\CCC=C(C)C
Structure:
CAS RN: 19893-69-7
CAS Name: 9-[(Z)-2-nitropent-1-enyl]phenanthrene
OPENEYE Name: 9-[(Z)-2-nitropent-1-enyl]phenanthrene
IUPAC Name: 9-[(Z)-2-nitropent-1-enyl]phenanthrene
SYSTEMATIC NAME: 9-[(Z)-2-nitropent-1-enyl]phenanthrene
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: CCC/C(=C/C1=CC2=CC=CC=C2C3=CC=CC=C31)/[N+](=O)[O-]
Structure:
CAS RN: 19893-70-0
CAS Name: acetic acid [(Z)-5-nitro-6-(9-phenanthrenyl)hex-5-enyl] ester
OPENEYE Name: [(Z)-5-nitro-6-(9-phenanthryl)hex-5-enyl] acetate
IUPAC Name: [(Z)-5-nitro-6-phenanthren-9-ylhex-5-enyl] acetate
SYSTEMATIC NAME: [(Z)-5-nitro-6-phenanthren-9-yl-hex-5-enyl] ethanoate
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: CC(=O)OCCCC/C(=C/C1=CC2=CC=CC=C2C3=CC=CC=C31)/[N+](=O)[O-]
Structure:
CAS RN: 36142-60-6
CAS Name: 5-[[cyclohexyl(methyl)amino]hydrazinylidene]-4-imidazolecarboxylic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl 5-[[cyclohexyl(methyl)amino]hydrazono]imidazole-4-carboxylate
IUPAC Name: 2-(diethylamino)ethyl 5-[[cyclohexyl(methyl)amino]hydrazinylidene]imidazole-4-carboxylate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 5-[[cyclohexyl(methyl)amino]hydrazinylidene]imidazole-4-carboxylate
MOLECULAR FORMULA: C17H30N6O2
MOLECULAR WEIGHT: 350.4591
SMILES: CCN(CC)CCOC(=O)C1=NC=NC1=NNN(C)C2CCCCC2
Structure:
CAS RN: 24845-16-7
CAS Name: (Z)-1-(4-hydroxyphenyl)-2,3-diphenyl-2-propen-1-one
OPENEYE Name: (Z)-1-(4-hydroxyphenyl)-2,3-diphenyl-prop-2-en-1-one
IUPAC Name: (Z)-1-(4-hydroxyphenyl)-2,3-diphenylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-1-(4-hydroxyphenyl)-2,3-diphenyl-prop-2-en-1-one
MOLECULAR FORMULA: C21H16O2
MOLECULAR WEIGHT: 300.35054
SMILES: C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)C3=CC=C(C=C3)O
Structure:
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