7-bromanyl-1-methoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-9-nitro-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: 7-bromanyl-1-methoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-9-nitro-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 7-bromo-6-hydroxy-2-(1-hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 7-bromo-6-hydroxy-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 7-bromo-6-hydroxy-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 7-bromo-6-hydroxy-2-(1-hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C21H22BrNO8 MolecularWeight: 496.30528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO8/c1-9(2)7-13(24)11-5-6-14-15(19(11)29-4)21(26)30-8-12-17(23(27)28)10(3)16(22)18(25)20(12)31-14/h5-6,9,13,24-25H,7-8H2,1-4H3