(4-methoxycarbonylphenyl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (4-carbomethoxybenzyl) ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-15-9-11-23(12-10-15)19-8-7-18(13-20(19)24(27)28)22(26)30-14-16-3-5-17(6-4-16)21(25)29-2/h3-8,13,15H,9-12,14H2,1-2H3