(4-methylphenyl) 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (4-methylphenyl) 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: p-tolyl 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid p-tolyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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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)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-14-5-8-17(9-6-14)26-20(23)16-7-10-18(19(12-16)22(24)25)21-11-3-4-15(2)13-21/h5-10,12,15H,3-4,11,13H2,1-2H3/t15-/m1/s1