[5-(2-bromanylethanoyl)-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate

Systemtic Name: [5-(2-bromanylethanoyl)-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate Openeye Name: [5-(2-bromoacetyl)-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-(2-bromo-1-oxoethyl)-2-(2-methyl-1-oxopropoxy)-3-nitrophenyl] ester IUPAC Name: [5-(2-bromoacetyl)-2-(2-methylpropanoyloxy)-3-nitrophenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-(2-bromoacetyl)-2-isobutyryloxy-3-nitro-phenyl] ester Formula: C16H18BrNO7 MolecularWeight: 416.22062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC(=CC(=C1OC(=O)C(C)C)[N+](=O)[O-])C(=O)CBr

Isomeric SMILES

CC(C)C(=O)OC1=CC(=CC(=C1OC(=O)C(C)C)[N+](=O)[O-])C(=O)CBr

InChI

InChI=1S/C16H18BrNO7/c1-8(2)15(20)24-13-6-10(12(19)7-17)5-11(18(22)23)14(13)25-16(21)9(3)4/h5-6,8-9H,7H2,1-4H3