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

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C22H23FN2O6 MolecularWeight: 430.426223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2(CCCC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2(CCCC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H23FN2O6/c1-14(20(26)24-18-13-15(25(28)29)9-10-19(18)30-2)31-21(27)22(11-5-6-12-22)16-7-3-4-8-17(16)23/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,24,26)