[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 1-(2-furylmethylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[(2-furanylmethylamino)-oxomethyl]-4-piperidinecarboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 1-(furan-2-ylmethylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(2-furfurylcarbamoyl)isonipecotic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C20H21FN4O7 MolecularWeight: 448.401743

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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)NCC3=CC=CO3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H21FN4O7/c21-16-4-3-14(10-17(16)25(29)30)23-18(26)12-32-19(27)13-5-7-24(8-6-13)20(28)22-11-15-2-1-9-31-15/h1-4,9-10,13H,5-8,11-12H2,(H,22,28)(H,23,26)