5-[(2-cyano-3-fluoranyl-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-cyano-3-fluoranyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-cyano-3-fluoro-anilino)-5-oxo-pentanoic acid CAS Name: 5-(2-cyano-3-fluoroanilino)-5-oxopentanoic acid IUPAC Name: 5-(2-cyano-3-fluoroanilino)-5-oxopentanoic acid Traditional Name: 5-(2-cyano-3-fluoro-anilino)-5-keto-valeric acid Formula: C12H11FN2O3 MolecularWeight: 250.225743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN2O3/c13-9-3-1-4-10(8(9)7-14)15-11(16)5-2-6-12(17)18/h1,3-4H,2,5-6H2,(H,15,16)(H,17,18)