3-(4-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(4-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one Openeye Name: 4-[(E)-(4-nitrophenyl)methyleneamino]-3-(p-tolyl)-1H-1,2,4-triazol-5-one CAS Name: 3-(4-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one IUPAC Name: 3-(4-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazol-5-one Traditional Name: 4-[(E)-(4-nitrobenzylidene)amino]-3-(p-tolyl)-1H-1,2,4-triazol-5-one Formula: C16H13N5O3 MolecularWeight: 323.30612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=O)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3/c1-11-2-6-13(7-3-11)15-18-19-16(22)20(15)17-10-12-4-8-14(9-5-12)21(23)24/h2-10H,1H3,(H,19,22)/b17-10+