4-[(2-cyano-3-fluoranyl-phenyl)carbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-cyano-3-fluoranyl-phenyl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-cyano-3-fluoro-phenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-[[(2-cyano-3-fluoroanilino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-cyano-3-fluorophenyl)carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-[(2-cyano-3-fluoro-phenyl)carbamoylamino]-4-keto-butyric acid Formula: C12H10FN3O4 MolecularWeight: 279.223903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10FN3O4/c13-8-2-1-3-9(7(8)6-14)15-12(20)16-10(17)4-5-11(18)19/h1-3H,4-5H2,(H,18,19)(H2,15,16,17,20)