dimethyl 1-(3-chloranyl-4-methyl-phenyl)-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-(3-chloranyl-4-methyl-phenyl)-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(3-chloro-4-methyl-phenyl)triazole-4,5-dicarboxylate CAS Name: 1-(3-chloro-4-methylphenyl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(3-chloro-4-methylphenyl)triazole-4,5-dicarboxylate Traditional Name: 1-(3-chloro-4-methyl-phenyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C13H12ClN3O4/c1-7-4-5-8(6-9(7)14)17-11(13(19)21-3)10(15-16-17)12(18)20-2/h4-6H,1-3H3