3-(2-bromanyl-4-chloranyl-6-nitro-phenoxy)butanoic acid

Systemtic Name: 3-(2-bromanyl-4-chloranyl-6-nitro-phenoxy)butanoic acid Openeye Name: 3-(2-bromo-4-chloro-6-nitro-phenoxy)butanoic acid CAS Name: 3-(2-bromo-4-chloro-6-nitrophenoxy)butanoic acid IUPAC Name: 3-(2-bromo-4-chloro-6-nitrophenoxy)butanoic acid Traditional Name: 3-(2-bromo-4-chloro-6-nitro-phenoxy)butyric acid Formula: C10H9BrClNO5 MolecularWeight: 338.53916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9BrClNO5/c1-5(2-9(14)15)18-10-7(11)3-6(12)4-8(10)13(16)17/h3-5H,2H2,1H3,(H,14,15)