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

Systemtic Name: (3-chlorophenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (3-chlorophenyl)methyl 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid (3-chlorobenzyl) ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O4/c1-14-4-3-9-22(12-14)18-8-7-16(11-19(18)23(25)26)20(24)27-13-15-5-2-6-17(21)10-15/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3/t14-/m0/s1