methyl 2-chloranyl-5-(cyanomethyl)-3-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-chloranyl-5-(cyanomethyl)-3-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-chloro-5-(cyanomethyl)-3-methyl-imidazole-4-carboxylate CAS Name: 2-chloro-5-(cyanomethyl)-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-chloro-5-(cyanomethyl)-3-methylimidazole-4-carboxylate Traditional Name: 2-chloro-5-(cyanomethyl)-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C8H8ClN3O2 MolecularWeight: 213.62102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1Cl)CC#N)C(=O)OC

Isomeric SMILES

CN1C(=C(N=C1Cl)CC#N)C(=O)OC

InChI

InChI=1S/C8H8ClN3O2/c1-12-6(7(13)14-2)5(3-4-10)11-8(12)9/h3H2,1-2H3