[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C

InChI

InChI=1S/C19H27N3O5/c1-4-9-20-18(23)14(3)27-19(24)16-12-15(22(25)26)5-6-17(16)21-10-7-13(2)8-11-21/h5-6,12-14H,4,7-11H2,1-3H3,(H,20,23)/t14-/m0/s1