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

Systemtic Name: 2-methoxy-5-(3-oxidanylidenebutanoylamino)benzoic acid Openeye Name: 2-methoxy-5-(3-oxobutanoylamino)benzoic acid CAS Name: 5-(1,3-dioxobutylamino)-2-methoxybenzoic acid IUPAC Name: 2-methoxy-5-(3-oxobutanoylamino)benzoic acid Traditional Name: 5-(acetoacetylamino)-2-methoxy-benzoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-7(14)5-11(15)13-8-3-4-10(18-2)9(6-8)12(16)17/h3-4,6H,5H2,1-2H3,(H,13,15)(H,16,17)