[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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