[4-bromanyl-2,2-dimethyl-4-(2-methyl-5-nitro-phenoxy)-3-oxidanylidene-butyl] ethanoate

Systemtic Name: [4-bromanyl-2,2-dimethyl-4-(2-methyl-5-nitro-phenoxy)-3-oxidanylidene-butyl] ethanoate Openeye Name: [4-bromo-2,2-dimethyl-4-(2-methyl-5-nitro-phenoxy)-3-oxo-butyl] acetate CAS Name: acetic acid [4-bromo-2,2-dimethyl-4-(2-methyl-5-nitrophenoxy)-3-oxobutyl] ester IUPAC Name: [4-bromo-2,2-dimethyl-4-(2-methyl-5-nitrophenoxy)-3-oxobutyl] acetate Traditional Name: acetic acid [4-bromo-3-keto-2,2-dimethyl-4-(2-methyl-5-nitro-phenoxy)butyl] ester Formula: C15H18BrNO6 MolecularWeight: 388.21052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OC(C(=O)C(C)(C)COC(=O)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OC(C(=O)C(C)(C)COC(=O)C)Br

InChI

InChI=1S/C15H18BrNO6/c1-9-5-6-11(17(20)21)7-12(9)23-14(16)13(19)15(3,4)8-22-10(2)18/h5-7,14H,8H2,1-4H3