(4Z)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitro-phenyl)-1,3-oxazol-5-one

Systemtic Name: (4Z)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitro-phenyl)-1,3-oxazol-5-one Openeye Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-(4-methyl-3-nitro-phenyl)oxazol-5-one CAS Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-5-oxazolone IUPAC Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5-one Traditional Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-(4-methyl-3-nitro-phenyl)-2-oxazolin-5-one Formula: C18H11BrN2O6 MolecularWeight: 431.19374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=CC3=CC4=C(C=C3Br)OCO4)C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N/C(=C\C3=CC4=C(C=C3Br)OCO4)/C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C18H11BrN2O6/c1-9-2-3-10(5-14(9)21(23)24)17-20-13(18(22)27-17)4-11-6-15-16(7-12(11)19)26-8-25-15/h2-7H,8H2,1H3/b13-4-