2-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-nitro-isoindoline-1,3-quinone Formula: C16H9BrN2O6 MolecularWeight: 405.15646

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

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