4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-3-methyl-benzoate

Systemtic Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-3-methyl-benzoate Openeye Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-3-methyl-benzoate CAS Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]-3-methylbenzoate IUPAC Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-3-methylbenzoate Traditional Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-3-methyl-benzoate Formula: C22H14N3O3- MolecularWeight: 368.36486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H15N3O3/c1-13-10-14(22(26)27)6-8-17(13)20-9-7-16(28-20)11-15(12-23)21-24-18-4-2-3-5-19(18)25-21/h2-11H,1H3,(H,24,25)(H,26,27)/p-1/b15-11+