[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1R)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-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] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1R)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-15(30-22(27)19-14-18(25(28)29)7-8-20(19)23)21(26)24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13,23H2,1H3/t15-/m1/s1