methyl 4-nitro-3-[2,3,5-tris(chloranyl)phenyl]butanoate

Systemtic Name: methyl 4-nitro-3-[2,3,5-tris(chloranyl)phenyl]butanoate Openeye Name: methyl 4-nitro-3-(2,3,5-trichlorophenyl)butanoate CAS Name: 4-nitro-3-(2,3,5-trichlorophenyl)butanoic acid methyl ester IUPAC Name: methyl 4-nitro-3-(2,3,5-trichlorophenyl)butanoate Traditional Name: 4-nitro-3-(2,3,5-trichlorophenyl)butyric acid methyl ester Formula: C11H10Cl3NO4 MolecularWeight: 326.5604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C[N+](=O)[O-])C1=CC(=CC(=C1Cl)Cl)Cl

Isomeric SMILES

COC(=O)CC(C[N+](=O)[O-])C1=CC(=CC(=C1Cl)Cl)Cl

InChI

InChI=1S/C11H10Cl3NO4/c1-19-10(16)2-6(5-15(17)18)8-3-7(12)4-9(13)11(8)14/h3-4,6H,2,5H2,1H3