ethyl 2-[2-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-yl]oxypropanoate

Systemtic Name: ethyl 2-[2-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-yl]oxypropanoate Openeye Name: ethyl 2-[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-yl]oxypropanoate CAS Name: 2-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitro-3-pyrazolyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-3-yl]oxypropanoate Traditional Name: 2-[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-yl]oxypropionic acid ethyl ester Formula: C15H13ClF3N3O5 MolecularWeight: 407.72903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=C(C=NN1C2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)OC1=C(C=NN1C2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClF3N3O5/c1-3-26-14(23)8(2)27-13-12(22(24)25)7-20-21(13)11-5-4-9(6-10(11)16)15(17,18)19/h4-8H,3H2,1-2H3