methyl 2-[4-[(4,5-dicyano-2-methyl-imidazol-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(4,5-dicyano-2-methyl-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(4,5-dicyano-2-methyl-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4,5-dicyano-2-methyl-1-imidazolyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4,5-dicyano-2-methylimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4,5-dicyano-2-methyl-imidazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C21H16N4O2 MolecularWeight: 356.37734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C#N)C#N

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C#N)C#N

InChI

InChI=1S/C21H16N4O2/c1-14-24-19(11-22)20(12-23)25(14)13-15-7-9-16(10-8-15)17-5-3-4-6-18(17)21(26)27-2/h3-10H,13H2,1-2H3