2,2,2-tris(chloranyl)ethyl 3-(4-methanoyl-2-methoxy-5-nitro-phenoxy)propanoate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 3-(4-methanoyl-2-methoxy-5-nitro-phenoxy)propanoate Openeye Name: 2,2,2-trichloroethyl 3-(4-formyl-2-methoxy-5-nitro-phenoxy)propanoate CAS Name: 3-(4-formyl-2-methoxy-5-nitrophenoxy)propanoic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 3-(4-formyl-2-methoxy-5-nitrophenoxy)propanoate Traditional Name: 3-(4-formyl-2-methoxy-5-nitro-phenoxy)propionic acid 2,2,2-trichloroethyl ester Formula: C13H12Cl3NO7 MolecularWeight: 400.59588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C13H12Cl3NO7/c1-22-10-4-8(6-18)9(17(20)21)5-11(10)23-3-2-12(19)24-7-13(14,15)16/h4-6H,2-3,7H2,1H3