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

Systemtic Name: [N-(4,5-dimethyl-1,2,3-triazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] benzoate Openeye Name: [N-(4,5-dimethyltriazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] benzoate CAS Name: benzoic acid [(4,5-dimethyl-1-triazolyl)imino-(4-nitrophenyl)methyl] ester IUPAC Name: [N-(4,5-dimethyltriazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] benzoate Traditional Name: benzoic acid [N-(4,5-dimethyltriazol-1-yl)-C-(4-nitrophenyl)carbonimidoyl] ester Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O4/c1-12-13(2)22(21-19-12)20-17(14-8-10-16(11-9-14)23(25)26)27-18(24)15-6-4-3-5-7-15/h3-11H,1-2H3