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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5/c1-12(14-6-4-3-5-7-14)11-21-18(23)13(2)27-19(24)16-10-15(22(25)26)8-9-17(16)20/h3-10,12-13H,11H2,1-2H3,(H,21,23)/t12-,13-/m0/s1