tert-butyl 4-[[5-(4-chloranyl-2-nitro-phenoxy)-2-iodanyl-phenyl]carbonylperoxy-prop-2-ynyl-amino]butanoate

Systemtic Name: tert-butyl 4-[[5-(4-chloranyl-2-nitro-phenoxy)-2-iodanyl-phenyl]carbonylperoxy-prop-2-ynyl-amino]butanoate Openeye Name: tert-butyl 4-[[5-(4-chloro-2-nitro-phenoxy)-2-iodo-benzoyl]peroxy-prop-2-ynyl-amino]butanoate CAS Name: 4-[[[5-(4-chloro-2-nitrophenoxy)-2-iodophenyl]-oxomethyl]dioxy-prop-2-ynylamino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-chloro-2-nitrophenoxy)-2-iodobenzoyl]peroxy-prop-2-ynylamino]butanoate Traditional Name: 4-[[5-(4-chloro-2-nitro-phenoxy)-2-iodo-benzoyl]peroxy-propargyl-amino]butyric acid tert-butyl ester Formula: C24H24ClIN2O8 MolecularWeight: 630.81343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCN(CC#C)OOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])I

Isomeric SMILES

CC(C)(C)OC(=O)CCCN(CC#C)OOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])I

InChI

InChI=1S/C24H24ClIN2O8/c1-5-12-27(13-6-7-22(29)34-24(2,3)4)36-35-23(30)18-15-17(9-10-19(18)26)33-21-11-8-16(25)14-20(21)28(31)32/h1,8-11,14-15H,6-7,12-13H2,2-4H3