[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C21H19F2N3O6 MolecularWeight: 447.388866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19F2N3O6/c22-15-3-1-13(2-4-15)20(28)25-9-7-14(8-10-25)21(29)32-12-19(27)24-16-5-6-17(23)18(11-16)26(30)31/h1-6,11,14H,7-10,12H2,(H,24,27)