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

Systemtic Name: methyl 3-phenyl-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-phenyl-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-phenyl-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-phenyl-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-phenyl-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C10H9N3O2 MolecularWeight: 203.19736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C10H9N3O2/c1-15-10(14)9-11-8(12-13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,13)