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

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4/c1-3-24-16-9-6-13(10-15(16)22-23-24)19(27)28-11(2)18(26)21-14-7-4-12(5-8-14)17(20)25/h4-11H,3H2,1-2H3,(H2,20,25)(H,21,26)/t11-/m1/s1