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

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3/c1-3-22-16-9-6-13(10-15(16)20-21-22)18(24)25-11(2)17(23)12-4-7-14(19)8-5-12/h4-11H,3H2,1-2H3/t11-/m1/s1