1,5-dimethyl-4-[(4-nitro-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)amino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(4-nitro-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(4-nitro-7-oxo-cyclohepta-1,3,5-trien-1-yl)amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(4-nitro-7-oxo-1-cyclohepta-1,3,5-trienyl)amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenylpyrazol-3-one Traditional Name: 4-[(7-keto-4-nitro-cyclohepta-1,3,5-trien-1-yl)amino]-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)NC3=CC=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC=C(C=CC3=O)[N+](=O)[O-]

InChI

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