(E)-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methylamino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methylamino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[[3-(trifluoromethyl)benzyl]amino]but-2-enoic acid Formula: C12H10F3NO3 MolecularWeight: 273.20791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H10F3NO3/c13-12(14,15)9-3-1-2-8(6-9)7-16-10(17)4-5-11(18)19/h1-6H,7H2,(H,16,17)(H,18,19)/b5-4+