[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(2-fluoro-5-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=CC(=C2)[N+](=O)[O-])F)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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