3-pyrazin-2-ylpropyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 3-pyrazin-2-ylpropyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 3-pyrazin-2-ylpropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 3-(2-pyrazinyl)propyl ester IUPAC Name: 3-pyrazin-2-ylpropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 3-pyrazin-2-ylpropyl ester Formula: C21H15ClF3N3O5 MolecularWeight: 481.80911

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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)OCCCC3=NC=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCCC3=NC=CN=C3

InChI

InChI=1S/C21H15ClF3N3O5/c22-17-10-13(21(23,24)25)3-6-19(17)33-15-4-5-18(28(30)31)16(11-15)20(29)32-9-1-2-14-12-26-7-8-27-14/h3-8,10-12H,1-2,9H2