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

Systemtic Name: [(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [(1S)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O6/c1-10(22)13-5-3-4-6-15(13)20-17(23)11(2)27-18(24)14-8-7-12(19)9-16(14)21(25)26/h3-9,11H,1-2H3,(H,20,23)/t11-/m0/s1