methyl 2,7-diethynyl-3H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2,7-diethynyl-3H-benzimidazole-4-carboxylate Openeye Name: methyl 2,7-diethynyl-3H-benzimidazole-4-carboxylate CAS Name: 2,7-diethynyl-3H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2,7-diethynyl-3H-benzimidazole-4-carboxylate Traditional Name: 2,7-diethynyl-3H-benzimidazole-4-carboxylic acid methyl ester Formula: C13H8N2O2 MolecularWeight: 224.21482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=C(C=C1)C#C)N=C(N2)C#C

Isomeric SMILES

COC(=O)C1=C2C(=C(C=C1)C#C)N=C(N2)C#C

InChI

InChI=1S/C13H8N2O2/c1-4-8-6-7-9(13(16)17-3)12-11(8)14-10(5-2)15-12/h1-2,6-7H,3H3,(H,14,15)