[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1R)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-16(31-23(28)19-8-9-20(24-2)21(15-19)26(29)30)22(27)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15-16,18,24H,10-14H2,1-2H3/t16-/m1/s1