[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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