2-[[3-methoxy-4,5-bis(oxidanyl)phenyl]methylcarbamoyl]-8-oxidanyl-quinoline-7-carboxylic acid

Systemtic Name: 2-[[3-methoxy-4,5-bis(oxidanyl)phenyl]methylcarbamoyl]-8-oxidanyl-quinoline-7-carboxylic acid Openeye Name: 2-[(3,4-dihydroxy-5-methoxy-phenyl)methylcarbamoyl]-8-hydroxy-quinoline-7-carboxylic acid CAS Name: 2-[[(3,4-dihydroxy-5-methoxyphenyl)methylamino]-oxomethyl]-8-hydroxy-7-quinolinecarboxylic acid IUPAC Name: 2-[(3,4-dihydroxy-5-methoxyphenyl)methylcarbamoyl]-8-hydroxyquinoline-7-carboxylic acid Traditional Name: 2-[(3,4-dihydroxy-5-methoxy-benzyl)carbamoyl]-8-hydroxy-quinoline-7-carboxylic acid Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)O)CNC(=O)C2=NC3=C(C=CC(=C3O)C(=O)O)C=C2

Isomeric SMILES

COC1=CC(=CC(=C1O)O)CNC(=O)C2=NC3=C(C=CC(=C3O)C(=O)O)C=C2

InChI

InChI=1S/C19H16N2O7/c1-28-14-7-9(6-13(22)17(14)24)8-20-18(25)12-5-3-10-2-4-11(19(26)27)16(23)15(10)21-12/h2-7,22-24H,8H2,1H3,(H,20,25)(H,26,27)