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

Systemtic Name: 1-(6-fluoranyl-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(6-fluoro-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid CAS Name: 1-(6-fluoro-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(6-fluoro-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(6-fluoro-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Formula: C19H12FN5O4 MolecularWeight: 393.328083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)F)C(=C1)N3C(=C(N=N3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)F)C(=C1)N3C(=C(N=N3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12FN5O4/c1-10-8-16(14-9-12(20)4-7-15(14)21-10)24-18(17(19(26)27)22-23-24)11-2-5-13(6-3-11)25(28)29/h2-9H,1H3,(H,26,27)