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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H19ClFN3O6 MolecularWeight: 463.843463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN3O6/c22-17-11-16(26(30)31)5-6-18(17)24-19(27)12-32-21(29)14-7-9-25(10-8-14)20(28)13-1-3-15(23)4-2-13/h1-6,11,14H,7-10,12H2,(H,24,27)