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

Systemtic Name: 1-(6-cyclohexyl-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(6-cyclohexyl-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid CAS Name: 1-(6-cyclohexyl-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(6-cyclohexyl-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C3CCCCC3)C(=C1)N4C(=C(N=N4)C(=O)O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C3CCCCC3)C(=C1)N4C(=C(N=N4)C(=O)O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4/c1-15-13-22(20-14-18(9-12-21(20)26-15)16-5-3-2-4-6-16)29-24(23(25(31)32)27-28-29)17-7-10-19(11-8-17)30(33)34/h7-14,16H,2-6H2,1H3,(H,31,32)