(4E)-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-(2-methyl-3-nitro-phenyl)-1,3-oxazol-5-one

Systemtic Name: (4E)-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-(2-methyl-3-nitro-phenyl)-1,3-oxazol-5-one Openeye Name: (4E)-4-[(5-bromo-2-methoxy-phenyl)methylene]-2-(2-methyl-3-nitro-phenyl)oxazol-5-one CAS Name: (4E)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-5-oxazolone IUPAC Name: (4E)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one Traditional Name: (4E)-4-(5-bromo-2-methoxy-benzylidene)-2-(2-methyl-3-nitro-phenyl)-2-oxazolin-5-one Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C2=NC(=CC3=C(C=CC(=C3)Br)OC)C(=O)O2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C2=N/C(=C/C3=C(C=CC(=C3)Br)OC)/C(=O)O2

InChI

InChI=1S/C18H13BrN2O5/c1-10-13(4-3-5-15(10)21(23)24)17-20-14(18(22)26-17)9-11-8-12(19)6-7-16(11)25-2/h3-9H,1-2H3/b14-9+