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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CN=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CN=CN=C3

InChI

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