[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C(=O)NCC(C)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O[C@H](C)C(=O)NCC(C)C

InChI

InChI=1S/C20H29N3O5/c1-13(2)12-21-19(24)15(4)28-20(25)17-11-16(23(26)27)5-6-18(17)22-9-7-14(3)8-10-22/h5-6,11,13-15H,7-10,12H2,1-4H3,(H,21,24)/t15-/m1/s1