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

Systemtic Name: ethyl 3-methyl-5-oxidanylidene-1-[(E)-(phenylmethylidene)amino]-2H-1,2,3-triazol-3-ium-4-carboxylate Openeye Name: ethyl 1-[(E)-benzylideneamino]-3-methyl-5-oxo-2H-triazol-3-ium-4-carboxylate CAS Name: 3-methyl-5-oxo-1-[(E)-(phenylmethylene)amino]-2H-triazol-3-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-benzylideneamino]-3-methyl-5-oxo-2H-triazol-3-ium-4-carboxylate Traditional Name: 1-[(E)-benzalamino]-5-keto-3-methyl-2H-triazol-3-ium-4-carboxylic acid ethyl ester Formula: C13H15N4O3+ MolecularWeight: 275.2832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c1-3-20-13(19)11-12(18)17(15-16(11)2)14-9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/p+1/b14-9+