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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-14-4-3-11-22(13-14)18-10-7-16(12-19(18)23(26)27)21(25)29-17-8-5-15(6-9-17)20(24)28-2/h5-10,12,14H,3-4,11,13H2,1-2H3