2-[(1,2,4-triazol-4-ylamino)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(1,2,4-triazol-4-ylamino)methyl]isoindole-1,3-dione Openeye Name: 2-[(1,2,4-triazol-4-ylamino)methyl]isoindoline-1,3-dione CAS Name: 2-[(1,2,4-triazol-4-ylamino)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1,2,4-triazol-4-ylamino)methyl]isoindole-1,3-dione Traditional Name: 2-[(1,2,4-triazol-4-ylamino)methyl]isoindoline-1,3-quinone Formula: C11H9N5O2 MolecularWeight: 243.22146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CNN3C=NN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CNN3C=NN=C3

InChI

InChI=1S/C11H9N5O2/c17-10-8-3-1-2-4-9(8)11(18)16(10)7-14-15-5-12-13-6-15/h1-6,14H,7H2