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

Systemtic Name: 8-oxidanyl-2-[[2,3,4-tris(oxidanyl)phenyl]methylcarbamoyl]quinoline-7-carboxylic acid Openeye Name: 8-hydroxy-2-[(2,3,4-trihydroxyphenyl)methylcarbamoyl]quinoline-7-carboxylic acid CAS Name: 8-hydroxy-2-[oxo-[(2,3,4-trihydroxyphenyl)methylamino]methyl]-7-quinolinecarboxylic acid IUPAC Name: 8-hydroxy-2-[(2,3,4-trihydroxyphenyl)methylcarbamoyl]quinoline-7-carboxylic acid Traditional Name: 8-hydroxy-2-[(2,3,4-trihydroxybenzyl)carbamoyl]quinoline-7-carboxylic acid Formula: C18H14N2O7 MolecularWeight: 370.31296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O7/c21-12-6-3-9(14(22)16(12)24)7-19-17(25)11-5-2-8-1-4-10(18(26)27)15(23)13(8)20-11/h1-6,21-24H,7H2,(H,19,25)(H,26,27)