[(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H15ClN2O4 MolecularWeight: 370.7864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C19H15ClN2O4/c1-11(17(23)21-15-9-5-4-8-14(15)20)26-19(25)16-10-12-6-2-3-7-13(12)18(24)22-16/h2-11H,1H3,(H,21,23)(H,22,24)/t11-/m1/s1