methyl 4-[cyano(1,2-dihydroimidazol-3-yl)methyl]benzoate

Systemtic Name: methyl 4-[cyano(1,2-dihydroimidazol-3-yl)methyl]benzoate Openeye Name: methyl 4-[cyano(1,2-dihydroimidazol-3-yl)methyl]benzoate CAS Name: 4-[cyano(1,2-dihydroimidazol-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[cyano(1,2-dihydroimidazol-3-yl)methyl]benzoate Traditional Name: 4-[cyano(4-imidazolin-1-yl)methyl]benzoic acid methyl ester Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C#N)N2CNC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C#N)N2CNC=C2

InChI

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