[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C19H17ClFNO4 MolecularWeight: 377.793983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C19H17ClFNO4/c1-2-4-17(24)22-13-9-7-12(8-10-13)16(23)11-26-19(25)18-14(20)5-3-6-15(18)21/h3,5-10H,2,4,11H2,1H3,(H,22,24)