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

Systemtic Name: methyl 2-(3,5-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: methyl 2-(3,5-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3,5-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3,5-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid methyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2N=C(C(=N2)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2N=C(C(=N2)C(=O)OC)C)C

InChI

InChI=1S/C13H15N3O2/c1-8-5-9(2)7-11(6-8)16-14-10(3)12(15-16)13(17)18-4/h5-7H,1-4H3