2-[[2-cyano-3-propyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-cyano-3-propyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-cyano-3-propyl-5-(trifluoromethyl)anilino]-2-oxo-acetic acid CAS Name: 2-[2-cyano-3-propyl-5-(trifluoromethyl)anilino]-2-oxoacetic acid IUPAC Name: 2-[2-cyano-3-propyl-5-(trifluoromethyl)anilino]-2-oxoacetic acid Traditional Name: 2-[2-cyano-3-propyl-5-(trifluoromethyl)anilino]-2-keto-acetic acid Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(F)(F)F)NC(=O)C(=O)O)C#N

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(F)(F)F)NC(=O)C(=O)O)C#N

InChI

InChI=1S/C13H11F3N2O3/c1-2-3-7-4-8(13(14,15)16)5-10(9(7)6-17)18-11(19)12(20)21/h4-5H,2-3H2,1H3,(H,18,19)(H,20,21)