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

Systemtic Name: 6-azanyl-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 6-amino-2-(4-chlorophenyl)-3-hydroxy-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 6-amino-2-(4-chlorophenyl)-3-hydroxy-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 6-amino-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 6-amino-2-(4-chlorophenyl)-3-hydroxy-cinchoninic acid; triethylamine Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O3.C6H15N/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14;1-4-7(5-2)6-3/h1-7,20H,18H2,(H,21,22);4-6H2,1-3H3