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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(N=NC1(C2=CC=CC=C2)C3=CC=CC=C3)C(Cl)(Cl)Cl

Isomeric SMILES

COC(=O)N1C(N=NC1(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)21-22-16(23,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3