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

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 2-(2-phenylimidazol-1-yl)propanenitrile Openeye Name: benzene-1,2,4-tricarboxylic acid; 2-(2-phenylimidazol-1-yl)propanenitrile CAS Name: benzene-1,2,4-tricarboxylic acid; 2-(2-phenyl-1-imidazolyl)propanenitrile IUPAC Name: benzene-1,2,4-tricarboxylic acid; 2-(2-phenylimidazol-1-yl)propanenitrile Traditional Name: 2-(2-phenylimidazol-1-yl)propionitrile; trimellitic acid Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1C=CN=C1C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C#N)N1C=CN=C1C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H11N3.C9H6O6/c1-10(9-13)15-8-7-14-12(15)11-5-3-2-4-6-11;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h2-8,10H,1H3;1-3H,(H,10,11)(H,12,13)(H,14,15)