1-[6-(4,5-dimethoxy-2-nitro-phenyl)benzo[f][1,3]benzodioxol-5-yl]ethanone

Systemtic Name: 1-[6-(4,5-dimethoxy-2-nitro-phenyl)benzo[f][1,3]benzodioxol-5-yl]ethanone Openeye Name: 1-[6-(4,5-dimethoxy-2-nitro-phenyl)benzo[f][1,3]benzodioxol-5-yl]ethanone CAS Name: 1-[6-(4,5-dimethoxy-2-nitrophenyl)-5-benzo[f][1,3]benzodioxolyl]ethanone IUPAC Name: 1-[6-(4,5-dimethoxy-2-nitrophenyl)benzo[f][1,3]benzodioxol-5-yl]ethanone Traditional Name: 1-[6-(4,5-dimethoxy-2-nitro-phenyl)benzo[f][1,3]benzodioxol-5-yl]ethanone Formula: C21H17NO7 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H17NO7/c1-11(23)21-13(5-4-12-6-19-20(7-14(12)21)29-10-28-19)15-8-17(26-2)18(27-3)9-16(15)22(24)25/h4-9H,10H2,1-3H3