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

Systemtic Name: 5-methyl-2-(4-methylphenyl)-4-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-(4-methylphenyl)-4-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-(4-methylphenyl)-4-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Traditional Name: 4-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(p-tolyl)-3-pyrazolin-3-one Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c1-11-3-6-14(7-4-11)20-18(23)15(12(2)19-20)9-13-5-8-17(22)16(10-13)21(24)25/h3-10,19H,1-2H3