4-(propylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(propylamino)benzene-1,3-dicarboxylic acid Openeye Name: 4-(propylamino)benzene-1,3-dicarboxylic acid CAS Name: 4-(propylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(propylamino)benzene-1,3-dicarboxylic acid Traditional Name: 4-(propylamino)isophthalic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCNC1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C11H13NO4/c1-2-5-12-9-4-3-7(10(13)14)6-8(9)11(15)16/h3-4,6,12H,2,5H2,1H3,(H,13,14)(H,15,16)