[(1R)-1-cyanoethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O[C@H](C)C#N

InChI

InChI=1S/C16H19N3O4/c1-11-5-7-18(8-6-11)15-4-3-13(19(21)22)9-14(15)16(20)23-12(2)10-17/h3-4,9,11-12H,5-8H2,1-2H3/t12-/m1/s1