benzene-1,2,4-tricarboxylic acid; 2-methylimidazole-1-carbonitrile

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 2-methylimidazole-1-carbonitrile Openeye Name: benzene-1,2,4-tricarboxylic acid; 2-methylimidazole-1-carbonitrile CAS Name: benzene-1,2,4-tricarboxylic acid; 2-methyl-1-imidazolecarbonitrile IUPAC Name: benzene-1,2,4-tricarboxylic acid; 2-methylimidazole-1-carbonitrile Traditional Name: 2-methylimidazole-1-carbonitrile; trimellitic acid Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6O6.C5H5N3/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-5-7-2-3-8(5)4-6/h1-3H,(H,10,11)(H,12,13)(H,14,15);2-3H,1H3