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

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]methylcarbamoylamino]-8-oxidanyl-quinoline-7-carboxylic acid Openeye Name: 2-[(3,4-dihydroxyphenyl)methylcarbamoylamino]-8-hydroxy-quinoline-7-carboxylic acid CAS Name: 2-[[[(3,4-dihydroxyphenyl)methylamino]-oxomethyl]amino]-8-hydroxy-7-quinolinecarboxylic acid IUPAC Name: 2-[(3,4-dihydroxyphenyl)methylcarbamoylamino]-8-hydroxyquinoline-7-carboxylic acid Traditional Name: 8-hydroxy-2-(protocatechuylcarbamoylamino)quinoline-7-carboxylic acid Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C=CC(=N2)NC(=O)NCC3=CC(=C(C=C3)O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C2=C1C=CC(=N2)NC(=O)NCC3=CC(=C(C=C3)O)O)O)C(=O)O

InChI

InChI=1S/C18H15N3O6/c22-12-5-1-9(7-13(12)23)8-19-18(27)21-14-6-3-10-2-4-11(17(25)26)16(24)15(10)20-14/h1-7,22-24H,8H2,(H,25,26)(H2,19,20,21,27)