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

Systemtic Name: 4-[[(3,5-dinitro-2-oxidanyl-phenyl)amino]methylidene]-5-methyl-2-(2-methylphenyl)pyrazol-3-one Openeye Name: 4-[(2-hydroxy-3,5-dinitro-anilino)methylene]-5-methyl-2-(o-tolyl)pyrazol-3-one CAS Name: 4-[(2-hydroxy-3,5-dinitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-3-pyrazolone IUPAC Name: 4-[(2-hydroxy-3,5-dinitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)pyrazol-3-one Traditional Name: 4-[(2-hydroxy-3,5-dinitro-anilino)methylene]-5-methyl-2-(o-tolyl)-2-pyrazolin-3-one Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])C(=N2)C

InChI

InChI=1S/C18H15N5O6/c1-10-5-3-4-6-15(10)21-18(25)13(11(2)20-21)9-19-14-7-12(22(26)27)8-16(17(14)24)23(28)29/h3-9,19,24H,1-2H3