2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid Openeye Name: 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid CAS Name: 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid Traditional Name: 2-acetamido-2-[4-(trifluoromethyl)benzyl]malonic acid Formula: C13H12F3NO5 MolecularWeight: 319.23329

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C(F)(F)F)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)C(F)(F)F)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H12F3NO5/c1-7(18)17-12(10(19)20,11(21)22)6-8-2-4-9(5-3-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,18)(H,19,20)(H,21,22)