5-methyl-2-(4-methylphenyl)-4-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-methylphenyl)-4-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]pyrazol-3-one Openeye Name: 4-[(2-hydroxy-5-nitro-anilino)methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one CAS Name: 4-[(2-hydroxy-5-nitroanilino)methylidene]-5-methyl-2-(4-methylphenyl)-3-pyrazolone IUPAC Name: 4-[(2-hydroxy-5-nitroanilino)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Traditional Name: 4-[(2-hydroxy-5-nitro-anilino)methylene]-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=N2)C

InChI

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