7-azanyl-4-[[3,4-bis(oxidanyl)phenyl]methyl]-6-oxidanyl-quinoline-2-carboxylic acid

Systemtic Name: 7-azanyl-4-[[3,4-bis(oxidanyl)phenyl]methyl]-6-oxidanyl-quinoline-2-carboxylic acid Openeye Name: 7-amino-4-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-quinoline-2-carboxylic acid CAS Name: 7-amino-4-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2-quinolinecarboxylic acid IUPAC Name: 7-amino-4-[(3,4-dihydroxyphenyl)methyl]-6-hydroxyquinoline-2-carboxylic acid Traditional Name: 7-amino-6-hydroxy-4-protocatechuyl-quinaldic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=NC3=CC(=C(C=C23)O)N)C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=NC3=CC(=C(C=C23)O)N)C(=O)O)O)O

InChI

InChI=1S/C17H14N2O5/c18-11-7-12-10(6-15(11)21)9(5-13(19-12)17(23)24)3-8-1-2-14(20)16(22)4-8/h1-2,4-7,20-22H,3,18H2,(H,23,24)