3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine

Systemtic Name: 3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine Openeye Name: 3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine CAS Name: 3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine IUPAC Name: 3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine Traditional Name: 3,6-bis(1,3-benzodioxol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine Formula: C16H12N4O4 MolecularWeight: 324.29088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=NN3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=NN3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C16H12N4O4/c1-3-11-13(23-7-21-11)5-9(1)15-17-19-16(20-18-15)10-2-4-12-14(6-10)24-8-22-12/h1-6H,7-8H2,(H,17,18)(H,19,20)