2-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]isoindoline-1,3-quinone Formula: C13H12N4O2 MolecularWeight: 256.25998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=NC(=NN1C)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H12N4O2/c1-8-14-11(15-16(8)2)7-17-12(18)9-5-3-4-6-10(9)13(17)19/h3-6H,7H2,1-2H3