ethyl (3S)-1-(4,5-dicyano-2-nitro-phenyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4,5-dicyano-2-nitro-phenyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4,5-dicyano-2-nitro-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(4,5-dicyano-2-nitrophenyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4,5-dicyano-2-nitrophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4,5-dicyano-2-nitro-phenyl)nipecotic acid ethyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4/c1-2-24-16(21)11-4-3-5-19(10-11)14-6-12(8-17)13(9-18)7-15(14)20(22)23/h6-7,11H,2-5,10H2,1H3/t11-/m0/s1