5-(3-methoxy-5-nitro-4-oxidanyl-phenyl)pentanoic acid

Systemtic Name: 5-(3-methoxy-5-nitro-4-oxidanyl-phenyl)pentanoic acid Openeye Name: 5-(4-hydroxy-3-methoxy-5-nitro-phenyl)pentanoic acid CAS Name: 5-(4-hydroxy-3-methoxy-5-nitrophenyl)pentanoic acid IUPAC Name: 5-(4-hydroxy-3-methoxy-5-nitrophenyl)pentanoic acid Traditional Name: 5-(4-hydroxy-3-methoxy-5-nitro-phenyl)valeric acid Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])CCCCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])CCCCC(=O)O

InChI

InChI=1S/C12H15NO6/c1-19-10-7-8(4-2-3-5-11(14)15)6-9(12(10)16)13(17)18/h6-7,16H,2-5H2,1H3,(H,14,15)