pyridazin-3-ylmethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: pyridazin-3-ylmethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: pyridazin-3-ylmethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 3-pyridazinylmethyl ester IUPAC Name: pyridazin-3-ylmethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid pyridazin-3-ylmethyl ester Formula: C19H11ClF3N3O5 MolecularWeight: 453.75595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NN=C1)COC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=NN=C1)COC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H11ClF3N3O5/c20-15-8-11(19(21,22)23)3-6-17(15)31-13-4-5-16(26(28)29)14(9-13)18(27)30-10-12-2-1-7-24-25-12/h1-9H,10H2