5-(3-oxidanylidenebutanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-oxidanylidenebutanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-oxobutanoylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(1,3-dioxobutylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-oxobutanoylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(acetoacetylamino)isophthalic acid Formula: C12H11NO6 MolecularWeight: 265.21884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO6/c1-6(14)2-10(15)13-9-4-7(11(16)17)3-8(5-9)12(18)19/h3-5H,2H2,1H3,(H,13,15)(H,16,17)(H,18,19)