2-(1-azido-3-methyl-butyl)-1,6-dimethoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: 2-(1-azido-3-methyl-butyl)-1,6-dimethoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 2-(1-azido-3-methyl-butyl)-1,6-dimethoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 2-(1-azido-3-methylbutyl)-1,6-dimethoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 2-(1-azido-3-methylbutyl)-1,6-dimethoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 2-(1-azido-3-methyl-butyl)-1,6-dimethoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)N=[N+]=[N-])OC

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)N=[N+]=[N-])OC

InChI

InChI=1S/C22H25N3O5/c1-12(2)8-16(24-25-23)15-6-7-17-19(21(15)28-5)22(26)29-11-14-9-13(3)10-18(27-4)20(14)30-17/h6-7,9-10,12,16H,8,11H2,1-5H3