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

Systemtic Name: 3-phenylmethoxypropyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 3-benzyloxypropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 3-phenylmethoxypropyl ester IUPAC Name: 3-phenylmethoxypropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 3-benzoxypropyl ester Formula: C24H19ClF3NO6 MolecularWeight: 509.85897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCOC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCOC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H19ClF3NO6/c25-20-13-17(24(26,27)28)7-10-22(20)35-18-8-9-21(29(31)32)19(14-18)23(30)34-12-4-11-33-15-16-5-2-1-3-6-16/h1-3,5-10,13-14H,4,11-12,15H2