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

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

Systemtic Name:methyl 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoate
Openeye Name:methyl 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoate
CAS Name:4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoic acid methyl ester
IUPAC Name:methyl 4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoate
Traditional Name:4-(2-methoxy-4-methylol-5-nitro-phenoxy)butyric acid methyl ester
Formula: C13H17NO7
MolecularWeight: 299.27658
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17NO7/c1-19-11-6-9(8-15)10(14(17)18)7-12(11)21-5-3-4-13(16)20-2/h6-7,15H,3-5,8H2,1-2H3


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