[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylquinoline-4-carboxylate Openeye Name: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C21H17ClN2O4/c1-12(25)14-6-5-7-15(10-14)23-20(26)13(2)28-21(27)17-11-19(22)24-18-9-4-3-8-16(17)18/h3-11,13H,1-2H3,(H,23,26)/t13-/m0/s1