1-[5,7-bis(chloranyl)-2-methyl-quinolin-4-yl]-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[5,7-bis(chloranyl)-2-methyl-quinolin-4-yl]-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(5,7-dichloro-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid CAS Name: 1-(5,7-dichloro-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(5,7-dichloro-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(5,7-dichloro-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid Formula: C19H11Cl2N5O4 MolecularWeight: 444.22774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=CC(=C2C(=C1)N3C(=C(N=N3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=NC2=CC(=CC(=C2C(=C1)N3C(=C(N=N3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C19H11Cl2N5O4/c1-9-6-15(16-13(21)7-11(20)8-14(16)22-9)25-18(17(19(27)28)23-24-25)10-2-4-12(5-3-10)26(29)30/h2-8H,1H3,(H,27,28)