ethanedioic acid; 1-pyridin-2-yl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole

Systemtic Name: ethanedioic acid; 1-pyridin-2-yl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole Openeye Name: oxalic acid; 1-(2-pyridyl)-2-[(E)-2-(3-pyridyl)vinyl]benzimidazole CAS Name: oxalic acid; 1-(2-pyridinyl)-2-[(E)-2-(3-pyridinyl)ethenyl]benzimidazole IUPAC Name: oxalic acid; 1-pyridin-2-yl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole Traditional Name: oxalic acid; 1-(2-pyridyl)-2-[(E)-2-(3-pyridyl)vinyl]benzimidazole Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C3=CC=CC=N3)C=CC4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C3=CC=CC=N3)/C=C/C4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H14N4.C2H2O4/c1-2-8-17-16(7-1)22-19(11-10-15-6-5-12-20-14-15)23(17)18-9-3-4-13-21-18;3-1(4)2(5)6/h1-14H;(H,3,4)(H,5,6)/b11-10+;