5-(propan-2-ylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(propan-2-ylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(isopropylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-(propan-2-ylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(propan-2-ylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(isopropylamino)isophthalic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-6(2)12-9-4-7(10(13)14)3-8(5-9)11(15)16/h3-6,12H,1-2H3,(H,13,14)(H,15,16)