5-methyl-4-[1-(4-methylphenyl)-3-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[1-(4-methylphenyl)-3-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[3-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1-(p-tolyl)prop-1-enyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[1-(4-methylphenyl)-3-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)prop-1-enyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[1-(4-methylphenyl)-3-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)prop-1-enyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[3-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-1-(p-tolyl)prop-1-enyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=C(NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=CC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=C(NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H21N3O4/c1-17-8-10-19(11-9-17)23(14-12-20-16-22(29(32)33)13-15-24(20)30)25-18(2)27-28(26(25)31)21-6-4-3-5-7-21/h3-16,27H,1-2H3