2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-chloranyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-chloranyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-chloro-phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-chlorophenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-chlorophenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-chloro-phenoxy]acetic acid Formula: C18H12ClN3O3 MolecularWeight: 353.75918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)OCC(=O)O)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Cl)/C#N

InChI

InChI=1S/C18H12ClN3O3/c19-13-8-11(5-6-16(13)25-10-17(23)24)7-12(9-20)18-21-14-3-1-2-4-15(14)22-18/h1-8H,10H2,(H,21,22)(H,23,24)/b12-7+