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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (4-carbomethoxybenzyl) 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)OCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

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