dimethyl 1-phenyl-4H-1,2,3-triazole-5,5-dicarboxylate

Systemtic Name: dimethyl 1-phenyl-4H-1,2,3-triazole-5,5-dicarboxylate Openeye Name: dimethyl 1-phenyl-4H-triazole-5,5-dicarboxylate CAS Name: 1-phenyl-4H-triazole-5,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-phenyl-4H-triazole-5,5-dicarboxylate Traditional Name: 1-phenyl-4H-triazole-5,5-dicarboxylic acid dimethyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CN=NN1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1(CN=NN1C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C12H13N3O4/c1-18-10(16)12(11(17)19-2)8-13-14-15(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3