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

Systemtic Name: ethyl 1-[5-fluoranyl-2-nitro-3-[(phenylmethyl)amino]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(benzylamino)-5-fluoro-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[5-fluoro-2-nitro-3-[(phenylmethyl)amino]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzylamino)-5-fluoro-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[3-(benzylamino)-5-fluoro-2-nitro-phenyl]isonipecotic acid ethyl ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=CC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=CC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)F

InChI

InChI=1S/C21H24FN3O4/c1-2-29-21(26)16-8-10-24(11-9-16)19-13-17(22)12-18(20(19)25(27)28)23-14-15-6-4-3-5-7-15/h3-7,12-13,16,23H,2,8-11,14H2,1H3