benzene-1,2,4-tricarboxylic acid; 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propanenitrile

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propanenitrile Openeye Name: benzene-1,2,4-tricarboxylic acid; 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propanenitrile CAS Name: benzene-1,2,4-tricarboxylic acid; 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propanenitrile IUPAC Name: benzene-1,2,4-tricarboxylic acid; 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propanenitrile Traditional Name: 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propionitrile; trimellitic acid Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)CCC#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=NC(=C(N1)C)CCC#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H13N3.C9H6O6/c1-3-9-11-7(2)8(12-9)5-4-6-10;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h3-5H2,1-2H3,(H,11,12);1-3H,(H,10,11)(H,12,13)(H,14,15)