(6-nitro-1,3-benzodioxol-5-yl) benzoate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl) benzoate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl) benzoate CAS Name: benzoic acid (6-nitro-1,3-benzodioxol-5-yl) ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl) benzoate Traditional Name: benzoic acid (6-nitro-1,3-benzodioxol-5-yl) ester Formula: C14H9NO6 MolecularWeight: 287.22436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H9NO6/c16-14(9-4-2-1-3-5-9)21-11-7-13-12(19-8-20-13)6-10(11)15(17)18/h1-7H,8H2