1-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-phenyl-pyrazol-3-one Openeye Name: 1-methyl-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-phenyl-pyrazol-3-one CAS Name: 1-methyl-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-phenyl-3-pyrazolone IUPAC Name: 1-methyl-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-phenylpyrazol-3-one Traditional Name: 4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N1C2=CC=CC=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=O)N1C2=CC=CC=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4/c1-19-11-15(17(23)20(19)13-5-3-2-4-6-13)18-10-12-9-14(21(24)25)7-8-16(12)22/h2-11,18H,1H3