methyl 2-[4-[(4,5-dicyano-1,2,3-triazol-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(4,5-dicyano-1,2,3-triazol-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(4,5-dicyanotriazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4,5-dicyano-1-triazolyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4,5-dicyanotriazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4,5-dicyanotriazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C19H13N5O2 MolecularWeight: 343.33882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=C(N=N3)C#N)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=C(N=N3)C#N)C#N

InChI

InChI=1S/C19H13N5O2/c1-26-19(25)16-5-3-2-4-15(16)14-8-6-13(7-9-14)12-24-18(11-21)17(10-20)22-23-24/h2-9H,12H2,1H3