N,3-dimethyl-1-[(E)-(4-nitrophenyl)methylideneamino]-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: N,3-dimethyl-1-[(E)-(4-nitrophenyl)methylideneamino]-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: N,3-dimethyl-1-[(E)-(4-nitrophenyl)methyleneamino]-5-oxo-2H-triazol-3-ium-4-carboxamide CAS Name: N,3-dimethyl-1-[(E)-(4-nitrophenyl)methylideneamino]-5-oxo-2H-triazol-3-ium-4-carboxamide IUPAC Name: N,3-dimethyl-1-[(E)-(4-nitrophenyl)methylideneamino]-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: 5-keto-N,3-dimethyl-1-[(E)-(4-nitrobenzylidene)amino]-2H-triazol-3-ium-4-carboxamide Formula: C12H13N6O4+ MolecularWeight: 305.26942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1/b14-7+