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

Systemtic Name: 5-(propanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(propanoylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(1-oxopropylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(propanoylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-propionamidoisophthalic acid Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-2-9(13)12-8-4-6(10(14)15)3-7(5-8)11(16)17/h3-5H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17)