1-(6-cyclohexylquinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(6-cyclohexylquinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(6-cyclohexyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid CAS Name: 1-(6-cyclohexyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(6-cyclohexylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(6-cyclohexyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Formula: C24H21N5O4 MolecularWeight: 443.45464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=CN=C3C=C2)N4C(=C(N=N4)C(=O)O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=CN=C3C=C2)N4C(=C(N=N4)C(=O)O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O4/c30-24(31)22-23(16-6-9-18(10-7-16)29(32)33)28(27-26-22)21-12-13-25-20-11-8-17(14-19(20)21)15-4-2-1-3-5-15/h6-15H,1-5H2,(H,30,31)