[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C21H21FN2O6 MolecularWeight: 416.399643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O6/c1-29-18-9-8-16(24(27)28)12-17(18)23-19(25)13-30-20(26)21(10-2-3-11-21)14-4-6-15(22)7-5-14/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,25)