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

Systemtic Name: 4-[[4-oxidanylidene-6-(1,2,4-triazol-4-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(1,2,4-triazol-4-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-(1,2,4-triazol-4-ylmethylamino)methyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(1,2,4-triazol-4-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(1,2,4-triazol-4-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Formula: C21H17N5O4 MolecularWeight: 403.39078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCN4C=NN=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCN4C=NN=C4)C(=O)O

InChI

InChI=1S/C21H17N5O4/c27-19-16(7-13-1-3-14(4-2-13)21(29)30)9-22-18-6-5-15(8-17(18)19)20(28)23-10-26-11-24-25-12-26/h1-6,8-9,11-12H,7,10H2,(H,22,27)(H,23,28)(H,29,30)