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

Systemtic Name: ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]imidazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]imidazole-4-carboxylate CAS Name: 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]imidazole-4-carboxylate Traditional Name: 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid ethyl ester Formula: C14H12F3N3O4 MolecularWeight: 343.25799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F3N3O4/c1-3-24-13(21)12-8(2)19(7-18-12)10-5-4-9(14(15,16)17)6-11(10)20(22)23/h4-7H,3H2,1-2H3