2-[2-chloranyl-5-(trifluoromethyl)phenyl]peroxy-2-oxidanylidene-ethanoate; 3-pyridin-3-ylpropan-1-amine

Systemtic Name: 2-[2-chloranyl-5-(trifluoromethyl)phenyl]peroxy-2-oxidanylidene-ethanoate; 3-pyridin-3-ylpropan-1-amine Openeye Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]peroxy-2-oxo-acetate; 3-(3-pyridyl)propan-1-amine CAS Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]dioxy-2-oxoacetate; 3-(3-pyridinyl)-1-propanamine IUPAC Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]peroxy-2-oxoacetate; 3-pyridin-3-ylpropan-1-amine Traditional Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]peroxy-2-keto-acetate; 3-(3-pyridyl)propylamine Formula: C17H15ClF3N2O5- MolecularWeight: 419.75961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCN.C1=CC(=C(C=C1C(F)(F)F)OOC(=O)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CN=C1)CCCN.C1=CC(=C(C=C1C(F)(F)F)OOC(=O)C(=O)[O-])Cl

InChI

InChI=1S/C9H4ClF3O5.C8H12N2/c10-5-2-1-4(9(11,12)13)3-6(5)17-18-8(16)7(14)15;9-5-1-3-8-4-2-6-10-7-8/h1-3H,(H,14,15);2,4,6-7H,1,3,5,9H2/p-1