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

Systemtic Name: 2-(3-chlorophenyl)-5-methyl-4-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Openeye Name: 2-(3-chlorophenyl)-5-methyl-4-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one CAS Name: 2-(3-chlorophenyl)-5-methyl-4-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3-chlorophenyl)-5-methyl-4-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Traditional Name: 2-(3-chlorophenyl)-4-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O4/c1-10-14(7-11-5-6-16(22)15(8-11)21(24)25)17(23)20(19-10)13-4-2-3-12(18)9-13/h2-9,19H,1H3