1-(6-butyl-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(6-butyl-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(6-butyl-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid CAS Name: 1-(6-butyl-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(6-butyl-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(6-butyl-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2N3C(=C(N=N3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2N3C(=C(N=N3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H21N5O4/c1-3-4-5-15-6-11-19-18(13-15)20(12-14(2)24-19)27-22(21(23(29)30)25-26-27)16-7-9-17(10-8-16)28(31)32/h6-13H,3-5H2,1-2H3,(H,29,30)