(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) 2-chloranyl-4-fluoranyl-5-(3-oxidanylidenepentanoylamino)benzoate

Systemtic Name: (1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) 2-chloranyl-4-fluoranyl-5-(3-oxidanylidenepentanoylamino)benzoate Openeye Name: (2-ethoxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-4-fluoro-5-(3-oxopentanoylamino)benzoate CAS Name: 2-chloro-5-(1,3-dioxopentylamino)-4-fluorobenzoic acid (1-ethoxy-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-2-methyl-1-oxopropan-2-yl) 2-chloro-4-fluoro-5-(3-oxopentanoylamino)benzoate Traditional Name: 2-chloro-4-fluoro-5-(3-ketopentanoylamino)benzoic acid (2-ethoxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C18H21ClFNO6 MolecularWeight: 401.813843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)NC1=C(C=C(C(=C1)C(=O)OC(C)(C)C(=O)OCC)Cl)F

Isomeric SMILES

CCC(=O)CC(=O)NC1=C(C=C(C(=C1)C(=O)OC(C)(C)C(=O)OCC)Cl)F

InChI

InChI=1S/C18H21ClFNO6/c1-5-10(22)7-15(23)21-14-8-11(12(19)9-13(14)20)16(24)27-18(3,4)17(25)26-6-2/h8-9H,5-7H2,1-4H3,(H,21,23)