4,7-dimethoxyquinoline-2-carboxylic acid; 4,7-dimethoxy-N-(2H-1,2,3,4-tetrazol-5-yl)quinoline-2-carboxamide

Systemtic Name: 4,7-dimethoxyquinoline-2-carboxylic acid; 4,7-dimethoxy-N-(2H-1,2,3,4-tetrazol-5-yl)quinoline-2-carboxamide Openeye Name: 4,7-dimethoxyquinoline-2-carboxylic acid; 4,7-dimethoxy-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide CAS Name: 4,7-dimethoxy-2-quinolinecarboxylic acid; 4,7-dimethoxy-N-(2H-tetrazol-5-yl)-2-quinolinecarboxamide IUPAC Name: 4,7-dimethoxyquinoline-2-carboxylic acid; 4,7-dimethoxy-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide Traditional Name: 4,7-dimethoxyquinaldic acid; 4,7-dimethoxy-N-(2H-tetrazol-5-yl)quinaldamide Formula: C25H23N7O7 MolecularWeight: 533.49282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)C(=O)NC3=NNN=N3)OC.COC1=CC2=C(C=C1)C(=CC(=N2)C(=O)O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)C(=O)NC3=NNN=N3)OC.COC1=CC2=C(C=C1)C(=CC(=N2)C(=O)O)OC

InChI

InChI=1S/C13H12N6O3.C12H11NO4/c1-21-7-3-4-8-9(5-7)14-10(6-11(8)22-2)12(20)15-13-16-18-19-17-13;1-16-7-3-4-8-9(5-7)13-10(12(14)15)6-11(8)17-2/h3-6H,1-2H3,(H2,15,16,17,18,19,20);3-6H,1-2H3,(H,14,15)