cyanomethyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: cyanomethyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: cyanomethyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid cyanomethyl ester Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC#N)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC#N)N2C=NC=N2

InChI

InChI=1S/C11H8N4O2/c12-5-6-17-11(16)9-1-3-10(4-2-9)15-8-13-7-14-15/h1-4,7-8H,6H2