(4E)-4-[[(3,5-dinitrophenyl)amino]methylidene]-5-methyl-2-(2-methylphenyl)pyrazol-3-one

Systemtic Name: (4E)-4-[[(3,5-dinitrophenyl)amino]methylidene]-5-methyl-2-(2-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[(3,5-dinitroanilino)methylene]-5-methyl-2-(o-tolyl)pyrazol-3-one CAS Name: (4E)-4-[(3,5-dinitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(3,5-dinitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-[(3,5-dinitroanilino)methylene]-5-methyl-2-(o-tolyl)-2-pyrazolin-3-one Formula: C18H15N5O5 MolecularWeight: 381.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O5/c1-11-5-3-4-6-17(11)21-18(24)16(12(2)20-21)10-19-13-7-14(22(25)26)9-15(8-13)23(27)28/h3-10,19H,1-2H3/b16-10+