5-(2-methylpropanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-methylpropanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2-methylpropanoylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-methyl-1-oxopropyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-methylpropanoylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(isobutyrylamino)isophthalic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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