1-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Formula: C22H17NO7 MolecularWeight: 407.37288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H17NO7/c1-27-17-6-2-14(3-7-17)18-11-16(23(25)26)5-9-20(18)28-12-19(24)15-4-8-21-22(10-15)30-13-29-21/h2-11H,12-13H2,1H3