ethyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-(4-nitro-3-prop-2-enoxy-phenyl)propanoate

Systemtic Name: ethyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-(4-nitro-3-prop-2-enoxy-phenyl)propanoate Openeye Name: ethyl 2-(3-allyloxy-4-nitro-phenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]propanoate CAS Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitro-3-prop-2-enoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-nitro-3-prop-2-enoxyphenyl)propanoate Traditional Name: 2-(3-allyloxy-4-nitro-phenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]propionic acid ethyl ester Formula: C20H18ClF3N2O5 MolecularWeight: 458.81553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])OCC=C)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])OCC=C)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF3N2O5/c1-4-8-31-16-10-12(6-7-15(16)26(28)29)19(3,18(27)30-5-2)17-14(21)9-13(11-25-17)20(22,23)24/h4,6-7,9-11H,1,5,8H2,2-3H3