cyanomethyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: cyanomethyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: cyanomethyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid cyanomethyl ester Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC#N)C2=CC=CC=C2

InChI

InChI=1S/C12H10N4O2/c1-9-11(12(17)18-8-7-13)15-16(14-9)10-5-3-2-4-6-10/h2-6H,8H2,1H3