5-[[4-cyano-2-(trifluoromethyl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-cyano-2-(trifluoromethyl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-cyano-2-(trifluoromethyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-cyano-2-(trifluoromethyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-cyano-2-(trifluoromethyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[4-cyano-2-(trifluoromethyl)anilino]-5-keto-valeric acid Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)C(F)(F)F)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)C(F)(F)F)NC(=O)CCCC(=O)O

InChI

InChI=1S/C13H11F3N2O3/c14-13(15,16)9-6-8(7-17)4-5-10(9)18-11(19)2-1-3-12(20)21/h4-6H,1-3H2,(H,18,19)(H,20,21)