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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-2-22-16-9-8-14(10-15(16)20-21-22)18(24)25-12-17(23)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,23)