methyl 1-(4-fluoranyl-3-isocyano-phenyl)-4-methyl-imidazole-2-carboxylate

Systemtic Name: methyl 1-(4-fluoranyl-3-isocyano-phenyl)-4-methyl-imidazole-2-carboxylate Openeye Name: methyl 1-(4-fluoro-3-isocyano-phenyl)-4-methyl-imidazole-2-carboxylate CAS Name: 1-(4-fluoro-3-isocyanophenyl)-4-methyl-2-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-fluoro-3-isocyanophenyl)-4-methylimidazole-2-carboxylate Traditional Name: 1-(4-fluoro-3-isocyano-phenyl)-4-methyl-imidazole-2-carboxylic acid methyl ester Formula: C13H10FN3O2 MolecularWeight: 259.235803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C(=O)OC)C2=CC(=C(C=C2)F)[N+]#[C-]

Isomeric SMILES

CC1=CN(C(=N1)C(=O)OC)C2=CC(=C(C=C2)F)[N+]#[C-]

InChI

InChI=1S/C13H10FN3O2/c1-8-7-17(12(16-8)13(18)19-3)9-4-5-10(14)11(6-9)15-2/h4-7H,1,3H3