2-[(2,5-dimethylphenyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[(2,5-dimethylphenyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 2-(2,5-dimethylanilino)benzene-1,3-dicarboxylic acid CAS Name: 2-(2,5-dimethylanilino)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(2,5-dimethylanilino)benzene-1,3-dicarboxylic acid Traditional Name: 2-(2,5-dimethylanilino)isophthalic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=C(C=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=C(C=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C16H15NO4/c1-9-6-7-10(2)13(8-9)17-14-11(15(18)19)4-3-5-12(14)16(20)21/h3-8,17H,1-2H3,(H,18,19)(H,20,21)