3-[7-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)heptyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[7-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)heptyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[7-(4-oxo-1,2,3-benzotriazin-3-yl)heptyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[7-(4-oxo-1,2,3-benzotriazin-3-yl)heptyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[7-(4-oxo-1,2,3-benzotriazin-3-yl)heptyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[7-(4-keto-1,2,3-benzotriazin-3-yl)heptyl]-1,2,3-benzotriazin-4-one Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCCCCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCCCCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N6O2/c28-20-16-10-4-6-12-18(16)22-24-26(20)14-8-2-1-3-9-15-27-21(29)17-11-5-7-13-19(17)23-25-27/h4-7,10-13H,1-3,8-9,14-15H2