sodium 2-[[3-chloranyl-5-cyano-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: sodium 2-[[3-chloranyl-5-cyano-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: sodium 2-[3-chloro-5-cyano-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-2-oxo-acetate CAS Name: sodium 2-[3-chloro-5-cyano-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-2-oxoacetate IUPAC Name: sodium 2-[3-chloro-5-cyano-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-2-oxoacetate Traditional Name: sodium 2-[3-chloro-5-cyano-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-2-keto-acetate Formula: C18H14ClN2NaO5 MolecularWeight: 396.75693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C#N)NC(=O)C(=O)[O-])Cl)O.[Na+]

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C#N)NC(=O)C(=O)[O-])Cl)O.[Na+]

InChI

InChI=1S/C18H15ClN2O5.Na/c1-9(2)13-7-12(3-4-15(13)22)26-16-10(8-20)5-11(6-14(16)19)21-17(23)18(24)25;/h3-7,9,22H,1-2H3,(H,21,23)(H,24,25);/q;+1/p-1