[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O[C@@H](C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5/c1-13-7-6-10-16(21(24)25)17(13)19(23)26-14(2)18(22)20-12-11-15-8-4-3-5-9-15/h3-10,14H,11-12H2,1-2H3,(H,20,22)/t14-/m0/s1