methyl 5,5-diphenyl-4-(trichloromethyl)-4H-1,2,3-triazole-3-carboxylate

Systemtic Name: methyl 5,5-diphenyl-4-(trichloromethyl)-4H-1,2,3-triazole-3-carboxylate Openeye Name: methyl 5,5-diphenyl-4-(trichloromethyl)-4H-triazole-3-carboxylate CAS Name: 5,5-diphenyl-4-(trichloromethyl)-4H-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5,5-diphenyl-4-(trichloromethyl)-4H-triazole-3-carboxylate Traditional Name: 5,5-diphenyl-4-(trichloromethyl)-4H-triazole-3-carboxylic acid methyl ester Formula: C17H14Cl3N3O2 MolecularWeight: 398.67096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(C(N=N1)(C2=CC=CC=C2)C3=CC=CC=C3)C(Cl)(Cl)Cl

Isomeric SMILES

COC(=O)N1C(C(N=N1)(C2=CC=CC=C2)C3=CC=CC=C3)C(Cl)(Cl)Cl

InChI

InChI=1S/C17H14Cl3N3O2/c1-25-15(24)23-14(17(18,19)20)16(21-22-23,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3