1-methyl-5-(methylcarbamoyl)-3-[(E)-(4-nitrophenyl)methylideneamino]-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-methyl-5-(methylcarbamoyl)-3-[(E)-(4-nitrophenyl)methylideneamino]-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-methyl-5-(methylcarbamoyl)-3-[(E)-(4-nitrophenyl)methyleneamino]triazol-1-ium-4-olate CAS Name: 1-methyl-5-(methylcarbamoyl)-3-[(E)-(4-nitrophenyl)methylideneamino]-4-triazol-1-iumolate IUPAC Name: 1-methyl-5-(methylcarbamoyl)-3-[(E)-(4-nitrophenyl)methylideneamino]triazol-1-ium-4-olate Traditional Name: 1-methyl-5-(methylcarbamoyl)-3-[(E)-(4-nitrobenzylidene)amino]triazol-1-ium-4-olate Formula: C12H12N6O4 MolecularWeight: 304.26148

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N(N=[N+]1C)N=CC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CNC(=O)C1=C(N(N=[N+]1C)/N=C/C2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H12N6O4/c1-13-11(19)10-12(20)17(15-16(10)2)14-7-8-3-5-9(6-4-8)18(21)22/h3-7H,1-2H3,(H-,13,15,19,20)/b14-7+