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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H22BrFN2O5 MolecularWeight: 541.365683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C26H22BrFN2O5/c27-21-16-20(30(33)34)12-13-22(21)29-24(31)23(17-6-2-1-3-7-17)35-25(32)26(14-4-5-15-26)18-8-10-19(28)11-9-18/h1-3,6-13,16,23H,4-5,14-15H2,(H,29,31)