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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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