methyl 4-(5-azanyl-4-cyano-imidazol-1-yl)benzoate

Systemtic Name: methyl 4-(5-azanyl-4-cyano-imidazol-1-yl)benzoate Openeye Name: methyl 4-(5-amino-4-cyano-imidazol-1-yl)benzoate CAS Name: 4-(5-amino-4-cyano-1-imidazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-amino-4-cyanoimidazol-1-yl)benzoate Traditional Name: 4-(5-amino-4-cyano-imidazol-1-yl)benzoic acid methyl ester Formula: C12H10N4O2 MolecularWeight: 242.2334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C=NC(=C2N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C=NC(=C2N)C#N

InChI

InChI=1S/C12H10N4O2/c1-18-12(17)8-2-4-9(5-3-8)16-7-15-10(6-13)11(16)14/h2-5,7H,14H2,1H3