6-quinolin-8-yloxybenzo[d][1,3,6,7,2]benzodioxadiazalumonine

Systemtic Name: 6-quinolin-8-yloxybenzo[d][1,3,6,7,2]benzodioxadiazalumonine Openeye Name: 6-(8-quinolyloxy)benzo[d][1,3,6,7,2]benzodioxadiazalumonine CAS Name: 6-(8-quinolinyloxy)benzo[d][1,3,6,7,2]benzodioxadiazalumonine IUPAC Name: 6-quinolin-8-yloxybenzo[d][1,3,6,7,2]benzodioxadiazalumonine Formula: C21H14AlN3O3 MolecularWeight: 383.335698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NC3=CC=CC=C3O[Al](O2)OC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=NC3=CC=CC=C3O[Al](O2)OC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C12H10N2O2.C9H7NO.Al/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-8,15-16H;1-6,11H;/q;;+3/p-3