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methyl 4-[3-(cyanomethyl)-2H-imidazol-1-yl]benzoate chloride

methyl 4-[3-(cyanomethyl)-2H-imidazol-1-yl]benzoate chloride

Systemtic Name:methyl 4-[3-(cyanomethyl)-2H-imidazol-1-yl]benzoate chloride
Openeye Name:methyl 4-[3-(cyanomethyl)-2H-imidazol-1-yl]benzoate chloride
CAS Name:4-[3-(cyanomethyl)-2H-imidazol-1-yl]benzoic acid methyl ester chloride
IUPAC Name:methyl 4-[3-(cyanomethyl)-2H-imidazol-1-yl]benzoate chloride
Traditional Name:4-[3-(cyanomethyl)-4-imidazolin-1-yl]benzoic acid methyl ester chloride
Formula: C13H13ClN3O2-
MolecularWeight: 278.71422
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CN(C=C2)CC#N.[Cl-]


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CN(C=C2)CC#N.[Cl-]


InChI

InChI=1S/C13H13N3O2.ClH/c1-18-13(17)11-2-4-12(5-3-11)16-9-8-15(10-16)7-6-14;/h2-5,8-9H,7,10H2,1H3;1H/p-1


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