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

Systemtic Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoate Openeye Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoate CAS Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoate IUPAC Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoate Traditional Name: 4-(2-methoxy-4-methylol-5-nitro-phenoxy)butyrate Formula: C12H14NO7- MolecularWeight: 284.24206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO7/c1-19-10-5-8(7-14)9(13(17)18)6-11(10)20-4-2-3-12(15)16/h5-6,14H,2-4,7H2,1H3,(H,15,16)/p-1