1,5-dimethyl-4-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2-phenylpyrazol-3-one Traditional Name: 4-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4/c1-12-17(18(24)21(20(12)2)14-6-4-3-5-7-14)19-11-13-8-9-16(23)15(10-13)22(25)26/h3-11,19H,1-2H3