(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-bromanyl-3-nitro-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-bromanyl-3-nitro-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-bromo-3-nitro-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-bromo-3-nitrophenyl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-bromo-3-nitrophenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-(4-bromo-3-nitro-benzylidene)-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)C3=NC(=CC4=CC(=C(C=C4)Br)[N+](=O)[O-])C(=O)O3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=N/C(=C\C4=CC(=C(C=C4)Br)[N+](=O)[O-])/C(=O)O3

InChI

InChI=1S/C17H9BrN2O6/c18-11-3-1-9(6-13(11)20(22)23)5-12-17(21)26-16(19-12)10-2-4-14-15(7-10)25-8-24-14/h1-7H,8H2/b12-5-