2-[3,5-bis(oxidanyl)phenyl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-[3,5-bis(oxidanyl)phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(3,5-dihydroxyphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3,5-dihydroxyphenyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3,5-dihydroxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(3,5-dihydroxyphenyl)-6-methyl-cinchoninate Formula: C17H12NO4- MolecularWeight: 294.28148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC(=CC(=C3)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC(=CC(=C3)O)O

InChI

InChI=1S/C17H13NO4/c1-9-2-3-15-13(4-9)14(17(21)22)8-16(18-15)10-5-11(19)7-12(20)6-10/h2-8,19-20H,1H3,(H,21,22)/p-1