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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=CC3=C(C(=CC=C3)[N+](=O)[O-])O)C(=O)O2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=N/C(=C/C3=C(C(=CC=C3)[N+](=O)[O-])O)/C(=O)O2)Br

InChI

InChI=1S/C16H9BrN2O5/c17-11-6-2-1-5-10(11)15-18-12(16(21)24-15)8-9-4-3-7-13(14(9)20)19(22)23/h1-8,20H/b12-8+