methyl 4-(5-cyanobenzotriazol-2-yl)benzoate

Systemtic Name: methyl 4-(5-cyanobenzotriazol-2-yl)benzoate Openeye Name: methyl 4-(5-cyanobenzotriazol-2-yl)benzoate CAS Name: 4-(5-cyano-2-benzotriazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-cyanobenzotriazol-2-yl)benzoate Traditional Name: 4-(5-cyanobenzotriazol-2-yl)benzoic acid methyl ester Formula: C15H10N4O2 MolecularWeight: 278.2655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)C#N

InChI

InChI=1S/C15H10N4O2/c1-21-15(20)11-3-5-12(6-4-11)19-17-13-7-2-10(9-16)8-14(13)18-19/h2-8H,1H3