ethyl 2-[5-(2-chloranylethanoylamino)-3-ethyl-2-methyl-imidazol-4-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[5-(2-chloranylethanoylamino)-3-ethyl-2-methyl-imidazol-4-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[5-[(2-chloroacetyl)amino]-3-ethyl-2-methyl-imidazol-4-yl]-2-oxo-acetate CAS Name: 2-[5-[(2-chloro-1-oxoethyl)amino]-3-ethyl-2-methyl-4-imidazolyl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(2-chloroacetyl)amino]-3-ethyl-2-methylimidazol-4-yl]-2-oxoacetate Traditional Name: 2-[5-[(2-chloroacetyl)amino]-3-ethyl-2-methyl-imidazol-4-yl]-2-keto-acetic acid ethyl ester Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1C(=O)C(=O)OCC)NC(=O)CCl)C

Isomeric SMILES

CCN1C(=NC(=C1C(=O)C(=O)OCC)NC(=O)CCl)C

InChI

InChI=1S/C12H16ClN3O4/c1-4-16-7(3)14-11(15-8(17)6-13)9(16)10(18)12(19)20-5-2/h4-6H2,1-3H3,(H,15,17)