4-methyl-2-(3-oxidanylidenebutanoylamino)benzoic acid

Systemtic Name: 4-methyl-2-(3-oxidanylidenebutanoylamino)benzoic acid Openeye Name: 4-methyl-2-(3-oxobutanoylamino)benzoic acid CAS Name: 2-(1,3-dioxobutylamino)-4-methylbenzoic acid IUPAC Name: 4-methyl-2-(3-oxobutanoylamino)benzoic acid Traditional Name: 2-(acetoacetylamino)-4-methyl-benzoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC(=O)C

InChI

InChI=1S/C12H13NO4/c1-7-3-4-9(12(16)17)10(5-7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)