5-[(4-chloranyl-2-fluoranyl-5-nitro-phenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid

Systemtic Name: 5-[(4-chloranyl-2-fluoranyl-5-nitro-phenyl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid Openeye Name: 5-(4-chloro-2-fluoro-5-nitro-anilino)-5-oxo-3-(trifluoromethyl)pentanoic acid CAS Name: 5-(4-chloro-2-fluoro-5-nitroanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid IUPAC Name: 5-(4-chloro-2-fluoro-5-nitroanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid Traditional Name: 5-(4-chloro-2-fluoro-5-nitro-anilino)-5-keto-3-(trifluoromethyl)valeric acid Formula: C12H9ClF4N2O5 MolecularWeight: 372.656873

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)NC(=O)CC(CC(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])Cl)F)NC(=O)CC(CC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H9ClF4N2O5/c13-6-3-7(14)8(4-9(6)19(23)24)18-10(20)1-5(2-11(21)22)12(15,16)17/h3-5H,1-2H2,(H,18,20)(H,21,22)