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

Systemtic Name: 2-(3-bromophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(3-bromophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]oxazol-5-one CAS Name: 2-(3-bromophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: 2-(3-bromophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(3-bromophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-oxazolin-5-one Formula: C17H9BrN2O6 MolecularWeight: 417.16716

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)OC(=N3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)OC(=N3)C4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H9BrN2O6/c18-11-3-1-2-9(4-11)16-19-12(17(21)26-16)5-10-6-14-15(25-8-24-14)7-13(10)20(22)23/h1-7H,8H2