[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)N=N1

InChI

InChI=1S/C19H20N4O3/c1-3-23-17-10-9-15(11-16(17)21-22-23)19(25)26-13(2)18(24)20-12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,20,24)