ethyl 4-[(phenylmethyl)iminomethylamino]-1,2,4-triazol-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(phenylmethyl)iminomethylamino]-1,2,4-triazol-4-ium-1-carboxylate Openeye Name: ethyl 4-(benzyliminomethylamino)-1,2,4-triazol-4-ium-1-carboxylate CAS Name: 4-[(phenylmethyl)iminomethylamino]-1,2,4-triazol-4-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzyliminomethylamino)-1,2,4-triazol-4-ium-1-carboxylate Traditional Name: 4-(benzyliminomethylamino)-1,2,4-triazol-4-ium-1-carboxylic acid ethyl ester Formula: C13H16N5O2+ MolecularWeight: 274.29844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=[N+](C=N1)NC=NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1C=[N+](C=N1)NC=NCC2=CC=CC=C2

InChI

InChI=1S/C13H16N5O2/c1-2-20-13(19)18-11-17(10-16-18)15-9-14-8-12-6-4-3-5-7-12/h3-7,9-11H,2,8H2,1H3,(H,14,15)/q+1