(4E)-2-(4-bromophenyl)-4-[(5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4E)-2-(4-bromophenyl)-4-[(5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-2-(4-bromophenyl)-4-[(2-hydroxy-5-nitro-phenyl)methylene]oxazol-5-one CAS Name: (4E)-2-(4-bromophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]-5-oxazolone IUPAC Name: (4E)-2-(4-bromophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4E)-2-(4-bromophenyl)-4-(2-hydroxy-5-nitro-benzylidene)-2-oxazolin-5-one Formula: C16H9BrN2O5 MolecularWeight: 389.15706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)O2)Br

Isomeric SMILES

C1=CC(=CC=C1C2=N/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/C(=O)O2)Br

InChI

InChI=1S/C16H9BrN2O5/c17-11-3-1-9(2-4-11)15-18-13(16(21)24-15)8-10-7-12(19(22)23)5-6-14(10)20/h1-8,20H/b13-8+