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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-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=CC(=C(C=C1)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)N2CCC[C@H](C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O5/c1-4-9-20-18(23)14(3)27-19(24)15-7-8-16(17(11-15)22(25)26)21-10-5-6-13(2)12-21/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H,20,23)/t13-,14+/m1/s1