[(1R)-1-cyanoethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-11(10-16)22-15(19)12-5-6-13(14(9-12)18(20)21)17-7-3-2-4-8-17/h5-6,9,11H,2-4,7-8H2,1H3/t11-/m1/s1