cyanomethyl 2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: cyanomethyl 2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: cyanomethyl 2-phenyltriazole-4-carboxylate CAS Name: 2-phenyl-4-triazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-phenyltriazole-4-carboxylate Traditional Name: 2-phenyltriazole-4-carboxylic acid cyanomethyl ester Formula: C11H8N4O2 MolecularWeight: 228.20682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)OCC#N

InChI

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