1-(1,3-benzodioxol-5-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C16H13NO7 MolecularWeight: 331.27692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13NO7/c1-21-13-5-3-11(17(19)20)7-16(13)22-8-12(18)10-2-4-14-15(6-10)24-9-23-14/h2-7H,8-9H2,1H3