[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-10(2)18-15(20)11(3)25-16(21)13-9-12(19(22)23)5-6-14(13)17-7-8-24-4/h5-6,9-11,17H,7-8H2,1-4H3,(H,18,20)/t11-/m0/s1