butanoyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboperoxoate

Systemtic Name: butanoyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboperoxoate Openeye Name: butanoyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboperoxoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarboperoxoic acid 1-oxobutyl ester IUPAC Name: butanoyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarboperoxoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboperoxoic acid butyryl ester Formula: C18H13ClF3NO7 MolecularWeight: 447.74653

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClF3NO7/c1-2-3-16(24)29-30-17(25)12-9-11(5-6-14(12)23(26)27)28-15-7-4-10(8-13(15)19)18(20,21)22/h4-9H,2-3H2,1H3