ethyl 1-(7-chloranyl-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranyl-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(7-chloro-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 1-(7-chloro-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloro-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 1-(7-chloro-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C21H16ClN5O4 MolecularWeight: 437.83584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC(=NC3=C2C=CC(=C3)Cl)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC(=NC3=C2C=CC(=C3)Cl)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O4/c1-3-31-21(28)19-20(13-4-7-15(8-5-13)27(29)30)26(25-24-19)18-10-12(2)23-17-11-14(22)6-9-16(17)18/h4-11H,3H2,1-2H3