[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O4 MolecularWeight: 360.79158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=C(C=C(C=C2)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4/c1-10(22)12-4-3-5-14(8-12)21-17(23)11(2)25-18(24)15-7-6-13(19)9-16(15)20/h3-9,11H,20H2,1-2H3,(H,21,23)/t11-/m0/s1