[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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