5-methyl-2-(4-methylphenyl)-4-(3-nitrophenyl)carbonyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-methylphenyl)-4-(3-nitrophenyl)carbonyl-4H-pyrazol-3-one Openeye Name: 5-methyl-4-(3-nitrobenzoyl)-2-(p-tolyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-(4-methylphenyl)-4-[(3-nitrophenyl)-oxomethyl]-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-(4-methylphenyl)-4-(3-nitrobenzoyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-4-(3-nitrobenzoyl)-2-(p-tolyl)-2-pyrazolin-3-one Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c1-11-6-8-14(9-7-11)20-18(23)16(12(2)19-20)17(22)13-4-3-5-15(10-13)21(24)25/h3-10,16H,1-2H3