methyl 3-[(4-cyanophenyl)methyl]imidazole-4-carboxylate

Systemtic Name: methyl 3-[(4-cyanophenyl)methyl]imidazole-4-carboxylate Openeye Name: methyl 3-[(4-cyanophenyl)methyl]imidazole-4-carboxylate CAS Name: 3-[(4-cyanophenyl)methyl]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-cyanophenyl)methyl]imidazole-4-carboxylate Traditional Name: 3-(4-cyanobenzyl)imidazole-4-carboxylic acid methyl ester Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CN1CC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C1=CN=CN1CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3O2/c1-18-13(17)12-7-15-9-16(12)8-11-4-2-10(6-14)3-5-11/h2-5,7,9H,8H2,1H3