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

Systemtic Name: 4-methoxy-3-(3-oxidanylidenebutanoylamino)benzoic acid Openeye Name: 4-methoxy-3-(3-oxobutanoylamino)benzoic acid CAS Name: 3-(1,3-dioxobutylamino)-4-methoxybenzoic acid IUPAC Name: 4-methoxy-3-(3-oxobutanoylamino)benzoic acid Traditional Name: 3-(acetoacetylamino)-4-methoxy-benzoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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