[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C24H22N4O3/c1-2-28-22-13-12-19(15-21(22)26-27-28)24(30)31-16-23(29)25-20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3,(H,25,29)