5-(4,5-dimethoxy-2-nitro-phenyl)pentanoic acid

Systemtic Name: 5-(4,5-dimethoxy-2-nitro-phenyl)pentanoic acid Openeye Name: 5-(4,5-dimethoxy-2-nitro-phenyl)pentanoic acid CAS Name: 5-(4,5-dimethoxy-2-nitrophenyl)pentanoic acid IUPAC Name: 5-(4,5-dimethoxy-2-nitrophenyl)pentanoic acid Traditional Name: 5-(4,5-dimethoxy-2-nitro-phenyl)valeric acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-19-11-7-9(5-3-4-6-13(15)16)10(14(17)18)8-12(11)20-2/h7-8H,3-6H2,1-2H3,(H,15,16)