[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C13H14BrNO6 MolecularWeight: 360.15736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H14BrNO6/c1-13(2,3)21-11(16)7-20-12(17)8-4-5-9(14)10(6-8)15(18)19/h4-6H,7H2,1-3H3