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

Systemtic Name: (ethoxycarbonylamino) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboperoxoate Openeye Name: (ethoxycarbonylamino) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboperoxoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarboperoxoic acid (ethoxycarbonylamino) ester IUPAC Name: (ethoxycarbonylamino) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarboperoxoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarboperoxoic acid (carbethoxyamino) ester Formula: C17H12ClF3N2O8 MolecularWeight: 464.73399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClF3N2O8/c1-2-28-16(25)22-31-30-15(24)11-8-10(4-5-13(11)23(26)27)29-14-6-3-9(7-12(14)18)17(19,20)21/h3-8H,2H2,1H3,(H,22,25)