(4Z)-5-methyl-2-(3-nitrophenyl)carbonyl-4-(phenylmethylidene)pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-2-(3-nitrophenyl)carbonyl-4-(phenylmethylidene)pyrazol-3-one Openeye Name: (4Z)-4-benzylidene-5-methyl-2-(3-nitrobenzoyl)pyrazol-3-one CAS Name: (4Z)-5-methyl-2-[(3-nitrophenyl)-oxomethyl]-4-(phenylmethylene)-3-pyrazolone IUPAC Name: (4Z)-4-benzylidene-5-methyl-2-(3-nitrobenzoyl)pyrazol-3-one Traditional Name: (4Z)-4-benzal-5-methyl-2-(3-nitrobenzoyl)-2-pyrazolin-3-one Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4/c1-12-16(10-13-6-3-2-4-7-13)18(23)20(19-12)17(22)14-8-5-9-15(11-14)21(24)25/h2-11H,1H3/b16-10-