4-[4-[(2-chloranyl-2-oxidanylidene-ethanoyl)oxymethyl]-2-methoxy-5-nitro-phenoxy]butanoic acid

Systemtic Name: 4-[4-[(2-chloranyl-2-oxidanylidene-ethanoyl)oxymethyl]-2-methoxy-5-nitro-phenoxy]butanoic acid Openeye Name: 4-[4-[(2-chloro-2-oxo-acetyl)oxymethyl]-2-methoxy-5-nitro-phenoxy]butanoic acid CAS Name: 4-[4-[(2-chloro-1,2-dioxoethoxy)methyl]-2-methoxy-5-nitrophenoxy]butanoic acid IUPAC Name: 4-[4-[(2-chloro-2-oxoacetyl)oxymethyl]-2-methoxy-5-nitrophenoxy]butanoic acid Traditional Name: 4-[4-[(2-chloro-2-keto-acetyl)oxymethyl]-2-methoxy-5-nitro-phenoxy]butyric acid Formula: C14H14ClNO9 MolecularWeight: 375.71526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C(=O)Cl)[N+](=O)[O-])OCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C(=O)Cl)[N+](=O)[O-])OCCCC(=O)O

InChI

InChI=1S/C14H14ClNO9/c1-23-10-5-8(7-25-14(20)13(15)19)9(16(21)22)6-11(10)24-4-2-3-12(17)18/h5-6H,2-4,7H2,1H3,(H,17,18)