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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C12H9BrN2O5 MolecularWeight: 341.11426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H9BrN2O5/c1-7-4-9(14-20-7)6-19-12(16)8-2-3-10(13)11(5-8)15(17)18/h2-5H,6H2,1H3