methyl 7-cyano-2-(3-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylate

Systemtic Name: methyl 7-cyano-2-(3-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylate Openeye Name: methyl 7-cyano-2-(m-tolyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylate CAS Name: 7-cyano-2-(3-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylic acid methyl ester IUPAC Name: methyl 7-cyano-2-(3-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylate Traditional Name: 7-cyano-2-(m-tolyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-6-carboxylic acid methyl ester Formula: C15H12N4O2 MolecularWeight: 280.28138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=CN3N2)C(=O)OC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=CN3N2)C(=O)OC)C#N

InChI

InChI=1S/C15H12N4O2/c1-9-4-3-5-10(6-9)13-17-14-11(7-16)12(15(20)21-2)8-19(14)18-13/h3-6,8H,1-2H3,(H,17,18)