ethyl 1-[3,5-bis(fluoranyl)-2-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3,5-bis(fluoranyl)-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3,5-difluoro-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-(3,5-difluoro-2-nitrophenyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,5-difluoro-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(3,5-difluoro-2-nitro-phenyl)isonipecotic acid ethyl ester Formula: C14H16F2N2O4 MolecularWeight: 314.284646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=CC(=C2[N+](=O)[O-])F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=CC(=C2[N+](=O)[O-])F)F

InChI

InChI=1S/C14H16F2N2O4/c1-2-22-14(19)9-3-5-17(6-4-9)12-8-10(15)7-11(16)13(12)18(20)21/h7-9H,2-6H2,1H3