2-[2-chloranylethanoyl-(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[2-chloranylethanoyl-(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(2-chloroacetyl)-(4-chloro-2-fluoro-5-prop-2-ynoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(4-chloro-N-(2-chloro-1-oxoethyl)-2-fluoro-5-prop-2-ynoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(2-chloroacetyl)-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(2-chloroacetyl)-(4-chloro-2-fluoro-5-propargyloxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C19H16Cl2FNO5 MolecularWeight: 428.238443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C(=C1)N(C(=O)CCl)C(=O)C2=C(CCCC2)C(=O)O)F)Cl

Isomeric SMILES

C#CCOC1=C(C=C(C(=C1)N(C(=O)CCl)C(=O)C2=C(CCCC2)C(=O)O)F)Cl

InChI

InChI=1S/C19H16Cl2FNO5/c1-2-7-28-16-9-15(14(22)8-13(16)21)23(17(24)10-20)18(25)11-5-3-4-6-12(11)19(26)27/h1,8-9H,3-7,10H2,(H,26,27)