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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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