3-(3-oxidanylidenebutanoylamino)benzoic acid

Systemtic Name: 3-(3-oxidanylidenebutanoylamino)benzoic acid Openeye Name: 3-(3-oxobutanoylamino)benzoic acid CAS Name: 3-(1,3-dioxobutylamino)benzoic acid IUPAC Name: 3-(3-oxobutanoylamino)benzoic acid Traditional Name: 3-(acetoacetylamino)benzoic acid Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4/c1-7(13)5-10(14)12-9-4-2-3-8(6-9)11(15)16/h2-4,6H,5H2,1H3,(H,12,14)(H,15,16)