2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]isoindoline-1,3-quinone Formula: C16H10N4O3 MolecularWeight: 306.2756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H10N4O3/c21-14-10-5-1-2-6-11(10)15(22)19(14)9-20-16(23)12-7-3-4-8-13(12)17-18-20/h1-8H,9H2