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

Systemtic Name: ethyl 2-(5-chloranyl-2-nitro-phenyl)-5-(3-fluorophenyl)-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 2-(5-chloro-2-nitro-phenyl)-5-(3-fluorophenyl)-1,2,4-triazole-3-carboxylate CAS Name: 2-(5-chloro-2-nitrophenyl)-5-(3-fluorophenyl)-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-chloro-2-nitrophenyl)-5-(3-fluorophenyl)-1,2,4-triazole-3-carboxylate Traditional Name: 2-(5-chloro-2-nitro-phenyl)-5-(3-fluorophenyl)-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C17H12ClFN4O4 MolecularWeight: 390.752983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClFN4O4/c1-2-27-17(24)16-20-15(10-4-3-5-12(19)8-10)21-22(16)14-9-11(18)6-7-13(14)23(25)26/h3-9H,2H2,1H3