ethyl 4-(3-oxidanidyl-5-oxidanylidene-1H-1,2,3-triazol-3-ium-2-yl)benzoate

Systemtic Name: ethyl 4-(3-oxidanidyl-5-oxidanylidene-1H-1,2,3-triazol-3-ium-2-yl)benzoate Openeye Name: ethyl 4-(3-oxido-5-oxo-1H-triazol-3-ium-2-yl)benzoate CAS Name: 4-(3-oxido-5-oxo-1H-triazol-3-ium-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-oxido-5-oxo-1H-triazol-3-ium-2-yl)benzoate Traditional Name: 4-(5-keto-3-oxido-1H-triazol-3-ium-2-yl)benzoic acid ethyl ester Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2NC(=O)C=[N+]2[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2NC(=O)C=[N+]2[O-]

InChI

InChI=1S/C11H11N3O4/c1-2-18-11(16)8-3-5-9(6-4-8)14-12-10(15)7-13(14)17/h3-7H,2H2,1H3,(H,12,15)