ethyl 1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-5-methyl-imidazole-4-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-5-methyl-imidazole-4-carboxylate Openeye Name: ethyl 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-5-methyl-imidazole-4-carboxylate CAS Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-5-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-5-methylimidazole-4-carboxylate Traditional Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-5-methyl-imidazole-4-carboxylic acid ethyl ester Formula: C14H11ClF3N3O4 MolecularWeight: 377.70305

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=N1)C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(C=N1)C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C14H11ClF3N3O4/c1-3-25-13(22)12-7(2)20(6-19-12)10-5-9(15)8(14(16,17)18)4-11(10)21(23)24/h4-6H,3H2,1-2H3