sodium 2-[[2-bromanyl-5-(4-chloranyl-2-cyano-phenoxy)phenyl]carbonylperoxyamino]ethanoate

Systemtic Name: sodium 2-[[2-bromanyl-5-(4-chloranyl-2-cyano-phenoxy)phenyl]carbonylperoxyamino]ethanoate Openeye Name: sodium 2-[[2-bromo-5-(4-chloro-2-cyano-phenoxy)benzoyl]peroxyamino]acetate CAS Name: sodium 2-[[[2-bromo-5-(4-chloro-2-cyanophenoxy)phenyl]-oxomethyl]dioxyamino]acetate IUPAC Name: sodium 2-[[2-bromo-5-(4-chloro-2-cyanophenoxy)benzoyl]peroxyamino]acetate Traditional Name: sodium 2-[[2-bromo-5-(4-chloro-2-cyano-phenoxy)benzoyl]peroxyamino]acetate Formula: C16H9BrClN2NaO6 MolecularWeight: 463.59923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)C#N)C(=O)OONCC(=O)[O-])Br.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)C#N)C(=O)OONCC(=O)[O-])Br.[Na+]

InChI

InChI=1S/C16H10BrClN2O6.Na/c17-13-3-2-11(24-14-4-1-10(18)5-9(14)7-19)6-12(13)16(23)25-26-20-8-15(21)22;/h1-6,20H,8H2,(H,21,22);/q;+1/p-1