(3E)-5-(4-bromophenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]furan-2-one

Systemtic Name: (3E)-5-(4-bromophenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]furan-2-one Openeye Name: (3E)-5-(4-bromophenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylene]furan-2-one CAS Name: (3E)-5-(4-bromophenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-furanone IUPAC Name: (3E)-5-(4-bromophenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]furan-2-one Traditional Name: (3E)-5-(4-bromophenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylene]furan-2-one Formula: C18H10BrNO6 MolecularWeight: 416.1791

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C=C(OC3=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/3\C=C(OC3=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H10BrNO6/c19-13-3-1-10(2-4-13)15-7-12(18(21)26-15)5-11-6-16-17(25-9-24-16)8-14(11)20(22)23/h1-8H,9H2/b12-5+