4-(2-cyanoethylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(2-cyanoethylamino)benzene-1,3-dicarboxylic acid Openeye Name: 4-(2-cyanoethylamino)benzene-1,3-dicarboxylic acid CAS Name: 4-(2-cyanoethylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(2-cyanoethylamino)benzene-1,3-dicarboxylic acid Traditional Name: 4-(2-cyanoethylamino)isophthalic acid Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)O)NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)NCCC#N

InChI

InChI=1S/C11H10N2O4/c12-4-1-5-13-9-3-2-7(10(14)15)6-8(9)11(16)17/h2-3,6,13H,1,5H2,(H,14,15)(H,16,17)