[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-15-4-3-11-23(13-15)19-10-7-17(12-20(19)24(27)28)22(26)30-14-21(25)16-5-8-18(29-2)9-6-16/h5-10,12,15H,3-4,11,13-14H2,1-2H3