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

Systemtic Name: ethyl 1-(3-ethynylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(3-ethynylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(3-ethynylphenyl)-5-methyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethynylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(3-ethynylphenyl)-5-methyl-triazole-4-carboxylic acid ethyl ester Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C#C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C#C)C

InChI

InChI=1S/C14H13N3O2/c1-4-11-7-6-8-12(9-11)17-10(3)13(15-16-17)14(18)19-5-2/h1,6-9H,5H2,2-3H3