ethanedioic acid; 2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]benzimidazole

Systemtic Name: ethanedioic acid; 2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]benzimidazole Openeye Name: oxalic acid; 2-[(E)-styryl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]benzimidazole CAS Name: oxalic acid; 2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)-2-pyrimidinyl]benzimidazole IUPAC Name: oxalic acid; 2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]benzimidazole Traditional Name: oxalic acid; 2-[(E)-styryl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]benzimidazole Formula: C22H15F3N4O4 MolecularWeight: 456.37411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3N2C4=NC=CC(=N4)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2C4=NC=CC(=N4)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H13F3N4.C2H2O4/c21-20(22,23)17-12-13-24-19(26-17)27-16-9-5-4-8-15(16)25-18(27)11-10-14-6-2-1-3-7-14;3-1(4)2(5)6/h1-13H;(H,3,4)(H,5,6)/b11-10+;