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

Systemtic Name: 1-methoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-9-nitro-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 6-hydroxy-2-(1-hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 6-hydroxy-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 6-hydroxy-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 6-hydroxy-2-(1-hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO8/c1-10(2)7-14(23)12-5-6-16-17(20(12)28-4)21(25)29-9-13-18(22(26)27)11(3)8-15(24)19(13)30-16/h5-6,8,10,14,23-24H,7,9H2,1-4H3