methyl 4-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-[(4-bromo-2-fluoro-benzoyl)amino]butanoate CAS Name: 4-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-2-fluorobenzoyl)amino]butanoate Traditional Name: 4-[(4-bromo-2-fluoro-benzoyl)amino]butyric acid methyl ester Formula: C12H13BrFNO3 MolecularWeight: 318.138923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(C=C(C=C1)Br)F

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C12H13BrFNO3/c1-18-11(16)3-2-6-15-12(17)9-5-4-8(13)7-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,15,17)