[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [5-(2-furyl)isoxazol-3-yl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [5-(2-furanyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [5-(2-furyl)isoxazol-3-yl]methyl ester Formula: C15H9BrN2O6 MolecularWeight: 393.14576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H9BrN2O6/c16-11-4-3-9(6-12(11)18(20)21)15(19)23-8-10-7-14(24-17-10)13-2-1-5-22-13/h1-7H,8H2