8-methyl-2-(3-methylbutanoyl)-6-(3-methylbutoxy)-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: 8-methyl-2-(3-methylbutanoyl)-6-(3-methylbutoxy)-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 6-isopentyloxy-8-methyl-2-(3-methylbutanoyl)-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 8-methyl-6-(3-methylbutoxy)-2-(3-methyl-1-oxobutyl)-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 8-methyl-2-(3-methylbutanoyl)-6-(3-methylbutoxy)-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 6-isoamoxy-2-isovaleryl-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C25H29NO7 MolecularWeight: 455.50026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO7/c1-14(2)8-9-31-22-11-16(5)23(26(29)30)19-13-32-25(28)18-12-17(20(27)10-15(3)4)6-7-21(18)33-24(19)22/h6-7,11-12,14-15H,8-10,13H2,1-5H3