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

Systemtic Name: (E)-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]but-2-enoic acid Formula: C12H9F3N2O4 MolecularWeight: 302.20607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O4/c13-12(14,15)7-2-1-3-8(6-7)16-11(21)17-9(18)4-5-10(19)20/h1-6H,(H,19,20)(H2,16,17,18,21)/b5-4+