[1-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]naphthalen-2-yl] ethanoate

Systemtic Name: [1-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]naphthalen-2-yl] ethanoate Openeye Name: [1-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-naphthyl] acetate CAS Name: acetic acid [1-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]naphthalen-2-yl] acetate Traditional Name: acetic acid [1-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-naphthyl] ester Formula: C22H15N3O2 MolecularWeight: 353.3734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC=CC=C2C=C1)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)OC1=C(C2=CC=CC=C2C=C1)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H15N3O2/c1-14(26)27-21-11-10-15-6-2-3-7-17(15)18(21)12-16(13-23)22-24-19-8-4-5-9-20(19)25-22/h2-12H,1H3,(H,24,25)/b16-12+