methyl 2-[4-(cyanomethyl)imidazol-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(cyanomethyl)imidazol-1-yl]ethanoate Openeye Name: methyl 2-[4-(cyanomethyl)imidazol-1-yl]acetate CAS Name: 2-[4-(cyanomethyl)-1-imidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(cyanomethyl)imidazol-1-yl]acetate Traditional Name: 2-[4-(cyanomethyl)imidazol-1-yl]acetic acid methyl ester Formula: C8H9N3O2 MolecularWeight: 179.17596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(N=C1)CC#N

Isomeric SMILES

COC(=O)CN1C=C(N=C1)CC#N

InChI

InChI=1S/C8H9N3O2/c1-13-8(12)5-11-4-7(2-3-9)10-6-11/h4,6H,2,5H2,1H3