[(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [(1R)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [(1R)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)N(CC)C3=CC=CC=C3)N=N1

InChI

InChI=1S/C20H22N4O3/c1-4-23(16-9-7-6-8-10-16)19(25)14(3)27-20(26)15-11-12-18-17(13-15)21-22-24(18)5-2/h6-14H,4-5H2,1-3H3/t14-/m1/s1