tert-butyl 4-[1-bromanyl-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-nitro-benzoate

Systemtic Name: tert-butyl 4-[1-bromanyl-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-nitro-benzoate Openeye Name: tert-butyl 4-(1-bromo-2-tert-butoxy-2-oxo-ethyl)-3-nitro-benzoate CAS Name: 4-[1-bromo-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-bromo-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-nitrobenzoate Traditional Name: 4-(1-bromo-2-tert-butoxy-2-keto-ethyl)-3-nitro-benzoic acid tert-butyl ester Formula: C17H22BrNO6 MolecularWeight: 416.26368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO6/c1-16(2,3)24-14(20)10-7-8-11(12(9-10)19(22)23)13(18)15(21)25-17(4,5)6/h7-9,13H,1-6H3