methyl 2-(4-azanyl-1,2,5-oxadiazol-3-yl)-1-(cyanomethyl)benzimidazole-5-carboxylate

Systemtic Name: methyl 2-(4-azanyl-1,2,5-oxadiazol-3-yl)-1-(cyanomethyl)benzimidazole-5-carboxylate Openeye Name: methyl 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyanomethyl)benzimidazole-5-carboxylate CAS Name: 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyanomethyl)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(cyanomethyl)benzimidazole-5-carboxylate Traditional Name: 2-(4-aminofurazan-3-yl)-1-(cyanomethyl)benzimidazole-5-carboxylic acid methyl ester Formula: C13H10N6O3 MolecularWeight: 298.2569

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=NON=C3N)CC#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=NON=C3N)CC#N

InChI

InChI=1S/C13H10N6O3/c1-21-13(20)7-2-3-9-8(6-7)16-12(19(9)5-4-14)10-11(15)18-22-17-10/h2-3,6H,5H2,1H3,(H2,15,18)