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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5/c1-11(2)13-4-7-15(8-5-13)21-18(23)12(3)27-19(24)14-6-9-16(20)17(10-14)22(25)26/h4-12H,1-3H3,(H,21,23)/t12-/m0/s1