4-[[4-oxidanylidene-6-(1,2,3,4-tetrazol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-(1,2,3,4-tetrazol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(tetrazol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-(1-tetrazolylmethylamino)methyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(tetrazol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(tetrazol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Formula: C20H16N6O4 MolecularWeight: 404.37884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCN4C=NN=N4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCN4C=NN=N4)C(=O)O

InChI

InChI=1S/C20H16N6O4/c27-18-15(7-12-1-3-13(4-2-12)20(29)30)9-21-17-6-5-14(8-16(17)18)19(28)22-10-26-11-23-24-25-26/h1-6,8-9,11H,7,10H2,(H,21,27)(H,22,28)(H,29,30)