4-bromanyl-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-bromanyl-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxidanylidene-butanoic acid Openeye Name: 4-bromo-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxo-butanoic acid CAS Name: 4-bromo-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxobutanoic acid IUPAC Name: 4-bromo-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxobutanoic acid Traditional Name: 4-bromo-3-keto-2,2-dimethyl-4-(4-nitrophenoxy)butyric acid Formula: C12H12BrNO6 MolecularWeight: 346.13078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(OC1=CC=C(C=C1)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

CC(C)(C(=O)C(OC1=CC=C(C=C1)[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C12H12BrNO6/c1-12(2,11(16)17)9(15)10(13)20-8-5-3-7(4-6-8)14(18)19/h3-6,10H,1-2H3,(H,16,17)