sodium 2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]-5-oxidanyl-phenolate

Systemtic Name: sodium 2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]-5-oxidanyl-phenolate Openeye Name: sodium 5-hydroxy-2-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]phenolate CAS Name: sodium 5-hydroxy-2-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]phenolate IUPAC Name: sodium 5-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]phenolate Traditional Name: sodium 5-hydroxy-2-(vanillylcarbamoyl)phenolate Formula: C15H14NNaO5 MolecularWeight: 311.26513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2=C(C=C(C=C2)O)[O-])O.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2=C(C=C(C=C2)O)[O-])O.[Na+]

InChI

InChI=1S/C15H15NO5.Na/c1-21-14-6-9(2-5-12(14)18)8-16-15(20)11-4-3-10(17)7-13(11)19;/h2-7,17-19H,8H2,1H3,(H,16,20);/q;+1/p-1