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

Systemtic Name: [N-(4,5-dimethyl-1,2,3-triazol-1-yl)-C-(3-nitrophenyl)carbonimidoyl] 3-nitrobenzoate Openeye Name: [N-(4,5-dimethyltriazol-1-yl)-C-(3-nitrophenyl)carbonimidoyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(4,5-dimethyl-1-triazolyl)imino-(3-nitrophenyl)methyl] ester IUPAC Name: [N-(4,5-dimethyltriazol-1-yl)-C-(3-nitrophenyl)carbonimidoyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [N-(4,5-dimethyltriazol-1-yl)-C-(3-nitrophenyl)carbonimidoyl] ester Formula: C18H14N6O6 MolecularWeight: 410.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=N1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N(N=N1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H14N6O6/c1-11-12(2)22(21-19-11)20-17(13-5-3-7-15(9-13)23(26)27)30-18(25)14-6-4-8-16(10-14)24(28)29/h3-10H,1-2H3