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

Systemtic Name: (4-methoxycarbonylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (4-carbomethoxyphenyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-14-9-11-22(12-10-14)18-8-5-16(13-19(18)23(26)27)21(25)29-17-6-3-15(4-7-17)20(24)28-2/h3-8,13-14H,9-12H2,1-2H3