methyl 4-chloranyl-2-(3-oxidanylidenebutanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-2-(3-oxidanylidenebutanoylamino)benzoate Openeye Name: methyl 4-chloro-2-(3-oxobutanoylamino)benzoate CAS Name: 4-chloro-2-(1,3-dioxobutylamino)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-(3-oxobutanoylamino)benzoate Traditional Name: 2-(acetoacetylamino)-4-chloro-benzoic acid methyl ester Formula: C12H12ClNO4 MolecularWeight: 269.68098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)OC

InChI

InChI=1S/C12H12ClNO4/c1-7(15)5-11(16)14-10-6-8(13)3-4-9(10)12(17)18-2/h3-4,6H,5H2,1-2H3,(H,14,16)