3-(cyanomethyl)-1-methyl-5-oxidanylidene-N-phenyl-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: 3-(cyanomethyl)-1-methyl-5-oxidanylidene-N-phenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(cyanomethyl)-1-methyl-5-oxo-N-phenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(cyanomethyl)-1-methyl-5-oxo-N-phenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(cyanomethyl)-1-methyl-5-oxo-N-phenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-(cyanomethyl)-5-keto-1-methyl-N-phenyl-2H-triazol-3-ium-4-carboxamide Formula: C12H12N5O2+ MolecularWeight: 258.25598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=[N+](N1)CC#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CN1C(=O)C(=[N+](N1)CC#N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C12H11N5O2/c1-16-12(19)10(17(15-16)8-7-13)11(18)14-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H-,14,15,18,19)/p+1