[4,4,4-tris(chloranyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] ethanoate

Systemtic Name: [4,4,4-tris(chloranyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] ethanoate Openeye Name: [3,3,3-trichloro-1-(4-chlorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propyl] acetate CAS Name: acetic acid [4,4,4-trichloro-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] ester IUPAC Name: [4,4,4-trichloro-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] acetate Traditional Name: acetic acid [3,3,3-trichloro-1-(4-chlorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propyl] ester Formula: C14H13Cl4N3O2 MolecularWeight: 397.08392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(Cl)(Cl)Cl)(CN1C=NC=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)OC(CC(Cl)(Cl)Cl)(CN1C=NC=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13Cl4N3O2/c1-10(22)23-13(6-14(16,17)18,7-21-9-19-8-20-21)11-2-4-12(15)5-3-11/h2-5,8-9H,6-7H2,1H3