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

Systemtic Name: 5-[(2-cyano-3-fluoranyl-phenyl)carbamoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(2-cyano-3-fluoro-phenyl)carbamoylamino]-5-oxo-pentanoic acid CAS Name: 5-[[(2-cyano-3-fluoroanilino)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[(2-cyano-3-fluorophenyl)carbamoylamino]-5-oxopentanoic acid Traditional Name: 5-[(2-cyano-3-fluoro-phenyl)carbamoylamino]-5-keto-valeric acid Formula: C13H12FN3O4 MolecularWeight: 293.250483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12FN3O4/c14-9-3-1-4-10(8(9)7-15)16-13(21)17-11(18)5-2-6-12(19)20/h1,3-4H,2,5-6H2,(H,19,20)(H2,16,17,18,21)