3-(3,4-dimethoxyphenyl)-5-nitro-pentanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-nitro-pentanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-5-nitro-pentanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)-5-nitropentanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-nitropentanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-5-nitro-valeric acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-19-11-4-3-9(7-12(11)20-2)10(8-13(15)16)5-6-14(17)18/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,16)