4-chloranyl-3-(3-oxidanylidenebutanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-oxidanylidenebutanoylamino)benzoic acid Openeye Name: 4-chloro-3-(3-oxobutanoylamino)benzoic acid CAS Name: 4-chloro-3-(1,3-dioxobutylamino)benzoic acid IUPAC Name: 4-chloro-3-(3-oxobutanoylamino)benzoic acid Traditional Name: 3-(acetoacetylamino)-4-chloro-benzoic acid Formula: C11H10ClNO4 MolecularWeight: 255.6544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClNO4/c1-6(14)4-10(15)13-9-5-7(11(16)17)2-3-8(9)12/h2-3,5H,4H2,1H3,(H,13,15)(H,16,17)