2-(3-methylphenyl)-6-oxaldehydoyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile

Systemtic Name: 2-(3-methylphenyl)-6-oxaldehydoyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Openeye Name: 2-(m-tolyl)-6-oxaldehydoyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile CAS Name: 2-(3-methylphenyl)-6-oxaldehydoyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile IUPAC Name: 2-(3-methylphenyl)-6-oxaldehydoyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Traditional Name: 6-glyoxyloyl-2-(m-tolyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Formula: C15H10N4O2 MolecularWeight: 278.2655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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