benzene-1,2,4-tricarboxylic acid; 2-(2-methylimidazol-1-yl)propanenitrile

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 2-(2-methylimidazol-1-yl)propanenitrile Openeye Name: benzene-1,2,4-tricarboxylic acid; 2-(2-methylimidazol-1-yl)propanenitrile CAS Name: benzene-1,2,4-tricarboxylic acid; 2-(2-methyl-1-imidazolyl)propanenitrile IUPAC Name: benzene-1,2,4-tricarboxylic acid; 2-(2-methylimidazol-1-yl)propanenitrile Traditional Name: 2-(2-methylimidazol-1-yl)propionitrile; trimellitic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C(C)C#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=CN1C(C)C#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6.C7H9N3/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-6(5-8)10-4-3-9-7(10)2/h1-3H,(H,10,11)(H,12,13)(H,14,15);3-4,6H,1-2H3