[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 2-nitrobenzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-16(29-22(26)19-9-5-6-10-20(19)24(27)28)21(25)23-13-11-18(12-14-23)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3