[2,4,5-tris(chloranyl)phenyl] 4-(4-methanoyl-2-methoxy-5-nitro-phenoxy)butanoate

Systemtic Name: [2,4,5-tris(chloranyl)phenyl] 4-(4-methanoyl-2-methoxy-5-nitro-phenoxy)butanoate Openeye Name: (2,4,5-trichlorophenyl) 4-(4-formyl-2-methoxy-5-nitro-phenoxy)butanoate CAS Name: 4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoic acid (2,4,5-trichlorophenyl) ester IUPAC Name: (2,4,5-trichlorophenyl) 4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoate Traditional Name: 4-(4-formyl-2-methoxy-5-nitro-phenoxy)butyric acid (2,4,5-trichlorophenyl) ester Formula: C18H14Cl3NO7 MolecularWeight: 462.66526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCCC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCCC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C18H14Cl3NO7/c1-27-16-5-10(9-23)14(22(25)26)8-17(16)28-4-2-3-18(24)29-15-7-12(20)11(19)6-13(15)21/h5-9H,2-4H2,1H3