[(E)-N-(5-methyl-4-phenyl-1,2,3-triazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate

Systemtic Name: [(E)-N-(5-methyl-4-phenyl-1,2,3-triazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate Openeye Name: [(E)-N-(5-methyl-4-phenyl-triazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-(5-methyl-4-phenyl-1-triazolyl)imino-(4-nitrophenyl)methyl] ester IUPAC Name: [(E)-N-(5-methyl-4-phenyltriazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-N-(5-methyl-4-phenyl-triazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] ester Formula: C23H16N6O6 MolecularWeight: 472.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1N=C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=NN1/N=C(\C2=CC=C(C=C2)[N+](=O)[O-])/OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H16N6O6/c1-15-21(16-5-3-2-4-6-16)24-26-27(15)25-22(17-7-11-19(12-8-17)28(31)32)35-23(30)18-9-13-20(14-10-18)29(33)34/h2-14H,1H3/b25-22+