ethyl 2-(5-chloranyl-2-nitro-phenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 2-(5-chloranyl-2-nitro-phenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 2-(5-chloro-2-nitro-phenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylate CAS Name: 2-(5-chloro-2-nitrophenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-chloro-2-nitrophenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylate Traditional Name: 2-(5-chloro-2-nitro-phenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C18H15ClN4O5 MolecularWeight: 402.7885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=NC(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H15ClN4O5/c1-3-28-18(24)17-20-16(11-4-7-13(27-2)8-5-11)21-22(17)15-10-12(19)6-9-14(15)23(25)26/h4-10H,3H2,1-2H3