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

Systemtic Name: sodium 2-[[3-cyano-5-methyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: sodium 2-[3-cyano-4-(4-hydroxy-3-isopropyl-phenoxy)-5-methyl-anilino]-2-oxo-acetate CAS Name: sodium 2-[3-cyano-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-methylanilino]-2-oxoacetate IUPAC Name: sodium 2-[3-cyano-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-methylanilino]-2-oxoacetate Traditional Name: sodium 2-[3-cyano-4-(4-hydroxy-3-isopropyl-phenoxy)-5-methyl-anilino]-2-keto-acetate Formula: C19H17N2NaO5 MolecularWeight: 376.33845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C(=O)[O-])C#N)OC2=CC(=C(C=C2)O)C(C)C.[Na+]

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)C(=O)[O-])C#N)OC2=CC(=C(C=C2)O)C(C)C.[Na+]

InChI

InChI=1S/C19H18N2O5.Na/c1-10(2)15-8-14(4-5-16(15)22)26-17-11(3)6-13(7-12(17)9-20)21-18(23)19(24)25;/h4-8,10,22H,1-3H3,(H,21,23)(H,24,25);/q;+1/p-1