methyl 4-[4-(bromomethyl)-2-methoxy-5-nitro-phenoxy]butanoate

Systemtic Name: methyl 4-[4-(bromomethyl)-2-methoxy-5-nitro-phenoxy]butanoate Openeye Name: methyl 4-[4-(bromomethyl)-2-methoxy-5-nitro-phenoxy]butanoate CAS Name: 4-[4-(bromomethyl)-2-methoxy-5-nitrophenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(bromomethyl)-2-methoxy-5-nitrophenoxy]butanoate Traditional Name: 4-[4-(bromomethyl)-2-methoxy-5-nitro-phenoxy]butyric acid methyl ester Formula: C13H16BrNO6 MolecularWeight: 362.17324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OCCCC(=O)OC

InChI

InChI=1S/C13H16BrNO6/c1-19-11-6-9(8-14)10(15(17)18)7-12(11)21-5-3-4-13(16)20-2/h6-7H,3-5,8H2,1-2H3