2-chloranyl-5-(3-oxidanylidenebutanoylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(3-oxidanylidenebutanoylamino)benzoic acid Openeye Name: 2-chloro-5-(3-oxobutanoylamino)benzoic acid CAS Name: 2-chloro-5-(1,3-dioxobutylamino)benzoic acid IUPAC Name: 2-chloro-5-(3-oxobutanoylamino)benzoic acid Traditional Name: 5-(acetoacetylamino)-2-chloro-benzoic acid Formula: C11H10ClNO4 MolecularWeight: 255.6544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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