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

Systemtic Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-3-(trifluoromethyl)pyrrole-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxo-ethyl)-1-methyl-3-(trifluoromethyl)pyrrole-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-1-methyl-3-(trifluoromethyl)-2-pyrrolecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-1-methyl-3-(trifluoromethyl)pyrrole-2-carboxylic acid Traditional Name: 4-carbethoxy-5-(2-ethoxy-2-keto-ethyl)-1-methyl-3-(trifluoromethyl)pyrrole-2-carboxylic acid Formula: C14H16F3NO6 MolecularWeight: 351.27515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1C)C(=O)O)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1C)C(=O)O)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C14H16F3NO6/c1-4-23-8(19)6-7-9(13(22)24-5-2)10(14(15,16)17)11(12(20)21)18(7)3/h4-6H2,1-3H3,(H,20,21)