(2-chloranyl-6-fluoranyl-phenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate CAS Name: 2,3-dimethyl-5-nitro-4-imidazolecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2,3-dimethyl-5-nitroimidazole-4-carboxylate Traditional Name: 2,3-dimethyl-5-nitro-imidazole-4-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C13H11ClFN3O4 MolecularWeight: 327.695543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)C(=O)OCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C)C(=O)OCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClFN3O4/c1-7-16-12(18(20)21)11(17(7)2)13(19)22-6-8-9(14)4-3-5-10(8)15/h3-5H,6H2,1-2H3