5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-nitro-benzoic acid

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-nitro-benzoic acid Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(2-ethoxy-1-methyl-2-oxo-ethyl)-2-nitro-benzoic acid CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(1-ethoxy-1-oxopropan-2-yl)-2-nitrobenzoic acid IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(1-ethoxy-1-oxopropan-2-yl)-2-nitrobenzoic acid Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(2-ethoxy-2-keto-1-methyl-ethyl)-2-nitro-benzoic acid Formula: C19H15ClF3NO7 MolecularWeight: 461.77311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClF3NO7/c1-3-30-18(27)9(2)12-7-11(8-13(17(25)26)16(12)24(28)29)31-15-5-4-10(6-14(15)20)19(21,22)23/h4-9H,3H2,1-2H3,(H,25,26)