6-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-6-oxo-hexanoic acid CAS Name: 6-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-[(3-chloro-4-fluorophenyl)carbamoylamino]-6-oxohexanoic acid Traditional Name: 6-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-6-keto-hexanoic acid Formula: C13H14ClFN2O4 MolecularWeight: 316.712663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC(=O)CCCCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC(=O)CCCCC(=O)O)Cl)F

InChI

InChI=1S/C13H14ClFN2O4/c14-9-7-8(5-6-10(9)15)16-13(21)17-11(18)3-1-2-4-12(19)20/h5-7H,1-4H2,(H,19,20)(H2,16,17,18,21)