benzene-1,3,5-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile

Systemtic Name: benzene-1,3,5-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile Openeye Name: benzene-1,3,5-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile CAS Name: benzene-1,3,5-tricarboxylic acid; 3-(2-phenyl-1-imidazolyl)propanenitrile IUPAC Name: benzene-1,3,5-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile Traditional Name: 3-(2-phenylimidazol-1-yl)propionitrile; trimesic acid Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CN2CCC#N.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CN2CCC#N.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H11N3.C9H6O6/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,5-6,8,10H,4,9H2;1-3H,(H,10,11)(H,12,13)(H,14,15)