2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H9BrN2O6 MolecularWeight: 405.15646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C16H9BrN2O6/c17-12-5-14-13(24-7-25-14)3-8(12)6-18-15(20)10-2-1-9(19(22)23)4-11(10)16(18)21/h1-5H,6-7H2