2-(4-chlorophenyl)-3-oxidanyl-quinoline-4,6-dicarboxylic acid; N,N-diethylethanamine

Systemtic Name: 2-(4-chlorophenyl)-3-oxidanyl-quinoline-4,6-dicarboxylic acid; N,N-diethylethanamine Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-quinoline-4,6-dicarboxylic acid; N,N-diethylethanamine CAS Name: 2-(4-chlorophenyl)-3-hydroxyquinoline-4,6-dicarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-(4-chlorophenyl)-3-hydroxyquinoline-4,6-dicarboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-quinoline-4,6-dicarboxylic acid; triethylamine Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)C(=O)O)C(=O)O)O)Cl

Isomeric SMILES

CCN(CC)CC.C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)C(=O)O)C(=O)O)O)Cl

InChI

InChI=1S/C17H10ClNO5.C6H15N/c18-10-4-1-8(2-5-10)14-15(20)13(17(23)24)11-7-9(16(21)22)3-6-12(11)19-14;1-4-7(5-2)6-3/h1-7,20H,(H,21,22)(H,23,24);4-6H2,1-3H3