(2-methoxy-2-oxidanylidene-ethyl) 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O6/c1-29-21(25)15-30-22(26)19-14-18(24(27)28)7-8-20(19)23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3