[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-13(14-6-4-3-5-7-14)11-21-18(23)12-27-19(24)16-10-15(22(25)26)8-9-17(16)20-2/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1