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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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