methyl N-(1-chloranyl-3-cyano-propan-2-yl)benzenecarboximidate

Systemtic Name: methyl N-(1-chloranyl-3-cyano-propan-2-yl)benzenecarboximidate Openeye Name: methyl N-[1-(chloromethyl)-2-cyano-ethyl]benzenecarboximidate CAS Name: N-(1-chloro-3-cyanopropan-2-yl)benzenecarboximidic acid methyl ester IUPAC Name: methyl N-(1-chloro-3-cyanopropan-2-yl)benzenecarboximidate Traditional Name: N-[1-(chloromethyl)-2-cyano-ethyl]benzenecarboximidic acid methyl ester Formula: C12H13ClN2O MolecularWeight: 236.69742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=NC(CC#N)CCl)C1=CC=CC=C1

Isomeric SMILES

COC(=NC(CC#N)CCl)C1=CC=CC=C1

InChI

InChI=1S/C12H13ClN2O/c1-16-12(10-5-3-2-4-6-10)15-11(9-13)7-8-14/h2-6,11H,7,9H2,1H3