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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNC3=C(C=C(C=C3)[N+](=O)[O-])O)C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C/NC3=C(C=C(C=C3)[N+](=O)[O-])O)/C(=N2)C

InChI

InChI=1S/C18H16N4O4/c1-11-5-3-4-6-16(11)21-18(24)14(12(2)20-21)10-19-15-8-7-13(22(25)26)9-17(15)23/h3-10,19,23H,1-2H3/b14-10+