sodium 2-[[3,4-bis(oxidanyl)phenyl]methylcarbamoyl]-8-oxidanyl-quinoline-7-carboxylate

Systemtic Name: sodium 2-[[3,4-bis(oxidanyl)phenyl]methylcarbamoyl]-8-oxidanyl-quinoline-7-carboxylate Openeye Name: sodium 2-[(3,4-dihydroxyphenyl)methylcarbamoyl]-8-hydroxy-quinoline-7-carboxylate CAS Name: sodium 2-[[(3,4-dihydroxyphenyl)methylamino]-oxomethyl]-8-hydroxy-7-quinolinecarboxylate IUPAC Name: sodium 2-[(3,4-dihydroxyphenyl)methylcarbamoyl]-8-hydroxyquinoline-7-carboxylate Traditional Name: sodium 8-hydroxy-2-(protocatechuylcarbamoyl)quinoline-7-carboxylate Formula: C18H13N2NaO6 MolecularWeight: 376.29539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C=CC(=N2)C(=O)NCC3=CC(=C(C=C3)O)O)O)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C2=C1C=CC(=N2)C(=O)NCC3=CC(=C(C=C3)O)O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H14N2O6.Na/c21-13-6-1-9(7-14(13)22)8-19-17(24)12-5-3-10-2-4-11(18(25)26)16(23)15(10)20-12;/h1-7,21-23H,8H2,(H,19,24)(H,25,26);/q;+1/p-1