ethyl 5-oxidanylidene-3-(phenylmethyl)-1-[(phenylmethylidene)amino]-2H-1,2,3-triazol-3-ium-4-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-3-(phenylmethyl)-1-[(phenylmethylidene)amino]-2H-1,2,3-triazol-3-ium-4-carboxylate Openeye Name: ethyl 3-benzyl-1-(benzylideneamino)-5-oxo-2H-triazol-3-ium-4-carboxylate CAS Name: 5-oxo-3-(phenylmethyl)-1-[(phenylmethylene)amino]-2H-triazol-3-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(benzylideneamino)-5-oxo-2H-triazol-3-ium-4-carboxylate Traditional Name: 1-(benzalamino)-3-benzyl-5-keto-2H-triazol-3-ium-4-carboxylic acid ethyl ester Formula: C19H19N4O3+ MolecularWeight: 351.37916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](NN(C1=O)N=CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=[N+](NN(C1=O)N=CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3/c1-2-26-19(25)17-18(24)23(20-13-15-9-5-3-6-10-15)21-22(17)14-16-11-7-4-8-12-16/h3-13H,2,14H2,1H3/p+1