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

Systemtic Name: 1-(6-butoxy-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(6-butoxy-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid CAS Name: 1-(6-butoxy-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(6-butoxy-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(6-butoxy-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C23H21N5O5/c1-3-4-11-33-17-9-10-19-18(13-17)20(12-14(2)24-19)27-22(21(23(29)30)25-26-27)15-5-7-16(8-6-15)28(31)32/h5-10,12-13H,3-4,11H2,1-2H3,(H,29,30)