methyl 4-[2-(hydroxymethyl)-4-nitro-phenoxy]butanoate

Systemtic Name: methyl 4-[2-(hydroxymethyl)-4-nitro-phenoxy]butanoate Openeye Name: methyl 4-[2-(hydroxymethyl)-4-nitro-phenoxy]butanoate CAS Name: 4-[2-(hydroxymethyl)-4-nitrophenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(hydroxymethyl)-4-nitrophenoxy]butanoate Traditional Name: 4-(2-methylol-4-nitro-phenoxy)butyric acid methyl ester Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=C(C=C(C=C1)[N+](=O)[O-])CO

Isomeric SMILES

COC(=O)CCCOC1=C(C=C(C=C1)[N+](=O)[O-])CO

InChI

InChI=1S/C12H15NO6/c1-18-12(15)3-2-6-19-11-5-4-10(13(16)17)7-9(11)8-14/h4-5,7,14H,2-3,6,8H2,1H3