methyl 3-[(3-cyano-1,2,4-triazol-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3-[(3-cyano-1,2,4-triazol-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: methyl 3-[(3-cyano-1,2,4-triazol-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(3-cyano-1,2,4-triazol-1-yl)methyl]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-cyano-1,2,4-triazol-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(3-cyano-1,2,4-triazol-1-yl)methyl]coumarilic acid methyl ester Formula: C14H10N4O3 MolecularWeight: 282.2542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2O1)CN3C=NC(=N3)C#N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2O1)CN3C=NC(=N3)C#N

InChI

InChI=1S/C14H10N4O3/c1-20-14(19)13-10(7-18-8-16-12(6-15)17-18)9-4-2-3-5-11(9)21-13/h2-5,8H,7H2,1H3