methyl 1-(3-ethynylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(3-ethynylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(3-ethynylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(3-ethynylphenyl)-5-methyl-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-ethynylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(3-ethynylphenyl)-5-methyl-triazole-4-carboxylic acid methyl ester Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC(=C2)C#C)C(=O)OC

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC(=C2)C#C)C(=O)OC

InChI

InChI=1S/C13H11N3O2/c1-4-10-6-5-7-11(8-10)16-9(2)12(14-15-16)13(17)18-3/h1,5-8H,2-3H3