1-methyl-4-[3,3,3-tris(fluoranyl)propanoyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[3,3,3-tris(fluoranyl)propanoyl]pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-(3,3,3-trifluoropropanoyl)pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-(3,3,3-trifluoro-1-oxopropyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-(3,3,3-trifluoropropanoyl)pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-(3,3,3-trifluoropropanoyl)pyrrole-2-carboxylic acid Formula: C9H8F3NO3 MolecularWeight: 235.15993

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)C(=O)CC(F)(F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)O)C(=O)CC(F)(F)F

InChI

InChI=1S/C9H8F3NO3/c1-13-4-5(2-6(13)8(15)16)7(14)3-9(10,11)12/h2,4H,3H2,1H3,(H,15,16)