ethyl (3S)-1-(2-cyano-4-nitro-phenyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-cyano-4-nitro-phenyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-cyano-4-nitro-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-cyano-4-nitrophenyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-cyano-4-nitrophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-cyano-4-nitro-phenyl)nipecotic acid ethyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H17N3O4/c1-2-22-15(19)11-4-3-7-17(10-11)14-6-5-13(18(20)21)8-12(14)9-16/h5-6,8,11H,2-4,7,10H2,1H3/t11-/m0/s1