[(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21N5O4 MolecularWeight: 395.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)NC(=O)C)N=N1

InChI

InChI=1S/C20H21N5O4/c1-4-25-18-10-5-14(11-17(18)23-24-25)20(28)29-12(2)19(27)22-16-8-6-15(7-9-16)21-13(3)26/h5-12H,4H2,1-3H3,(H,21,26)(H,22,27)/t12-/m1/s1