4-butyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid

Systemtic Name: 4-butyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid Openeye Name: 4-butyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid CAS Name: 4-butyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid IUPAC Name: 4-butyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid Traditional Name: 4-butyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid Formula: C18H15ClF3NO5 MolecularWeight: 417.76361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C18H15ClF3NO5/c1-2-3-4-10-7-14(23(26)27)12(17(24)25)9-16(10)28-15-6-5-11(8-13(15)19)18(20,21)22/h5-9H,2-4H2,1H3,(H,24,25)