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

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN2O6/c1-10(16(21)19-14-5-3-4-6-15(14)25-2)26-17(22)12-9-11(20(23)24)7-8-13(12)18/h3-10H,1-2H3,(H,19,21)/t10-/m0/s1