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

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21F2N3O6 MolecularWeight: 461.415446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21F2N3O6/c1-13(20(28)25-17-8-9-18(24)19(11-17)27(31)32)33-22(30)15-3-2-10-26(12-15)21(29)14-4-6-16(23)7-5-14/h4-9,11,13,15H,2-3,10,12H2,1H3,(H,25,28)