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4-(4-methanoyl-2-methoxy-5-nitro-phenoxy)butanoic acid

4-(4-methanoyl-2-methoxy-5-nitro-phenoxy)butanoic acid

Systemtic Name:4-(4-methanoyl-2-methoxy-5-nitro-phenoxy)butanoic acid
Openeye Name:4-(4-formyl-2-methoxy-5-nitro-phenoxy)butanoic acid
CAS Name:4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoic acid
IUPAC Name:4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoic acid
Traditional Name:4-(4-formyl-2-methoxy-5-nitro-phenoxy)butyric acid
Formula: C12H13NO7
MolecularWeight: 283.23412
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H13NO7/c1-19-10-5-8(7-14)9(13(17)18)6-11(10)20-4-2-3-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)


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