4-bromanyl-2,2-dimethyl-4-(2-methyl-5-nitro-phenoxy)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-bromanyl-2,2-dimethyl-4-(2-methyl-5-nitro-phenoxy)-3-oxidanylidene-butanoic acid Openeye Name: 4-bromo-2,2-dimethyl-4-(2-methyl-5-nitro-phenoxy)-3-oxo-butanoic acid CAS Name: 4-bromo-2,2-dimethyl-4-(2-methyl-5-nitrophenoxy)-3-oxobutanoic acid IUPAC Name: 4-bromo-2,2-dimethyl-4-(2-methyl-5-nitrophenoxy)-3-oxobutanoic acid Traditional Name: 4-bromo-3-keto-2,2-dimethyl-4-(2-methyl-5-nitro-phenoxy)butyric acid Formula: C13H14BrNO6 MolecularWeight: 360.15736

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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)C(=O)O)Br

Isomeric SMILES

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

InChI

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