5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]isophthalic acid Formula: C22H13N3O5 MolecularWeight: 399.35572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)/C#N

InChI

InChI=1S/C22H13N3O5/c23-11-15(20-24-17-3-1-2-4-18(17)25-20)10-16-5-6-19(30-16)12-7-13(21(26)27)9-14(8-12)22(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)/b15-10+