[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C19H21N3O5/c1-13(18(23)21-11-10-14-6-4-3-5-7-14)27-19(24)16-12-15(22(25)26)8-9-17(16)20-2/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,23)/t13-/m0/s1