1,3-thiazol-4-ylmethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 1,3-thiazol-4-ylmethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: thiazol-4-ylmethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 4-thiazolylmethyl ester IUPAC Name: 1,3-thiazol-4-ylmethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid thiazol-4-ylmethyl ester Formula: C18H10ClF3N2O5S MolecularWeight: 458.79561

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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=CSC=N3

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC=N3

InChI

InChI=1S/C18H10ClF3N2O5S/c19-14-5-10(18(20,21)22)1-4-16(14)29-12-2-3-15(24(26)27)13(6-12)17(25)28-7-11-8-30-9-23-11/h1-6,8-9H,7H2