5-(4-chlorophenyl)carbonyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)carbonyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Openeye Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxo-ethyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-2-(2-ethoxy-2-oxoethyl)-1-methyl-4-(trifluoromethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Traditional Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-keto-ethyl)-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid Formula: C18H15ClF3NO5 MolecularWeight: 417.76361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H15ClF3NO5/c1-3-28-12(24)8-11-13(17(26)27)14(18(20,21)22)15(23(11)2)16(25)9-4-6-10(19)7-5-9/h4-7H,3,8H2,1-2H3,(H,26,27)