(4-chlorophenyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (4-chlorophenyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (4-chlorophenyl) 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid (4-chlorophenyl) ester Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4/c1-13-3-2-10-21(12-13)17-9-4-14(11-18(17)22(24)25)19(23)26-16-7-5-15(20)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3/t13-/m0/s1