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

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H11BrN2O6 MolecularWeight: 419.18304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN2O6/c18-11-7-14-13(25-4-5-26-14)6-9(11)8-19-16(21)10-2-1-3-12(20(23)24)15(10)17(19)22/h1-3,6-7H,4-5,8H2