3-nitro-4-(4-oxidanylbutyl)benzoic acid

Systemtic Name: 3-nitro-4-(4-oxidanylbutyl)benzoic acid Openeye Name: 4-(4-hydroxybutyl)-3-nitro-benzoic acid CAS Name: 4-(4-hydroxybutyl)-3-nitrobenzoic acid IUPAC Name: 4-(4-hydroxybutyl)-3-nitrobenzoic acid Traditional Name: 4-(4-hydroxybutyl)-3-nitro-benzoic acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CCCCO

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CCCCO

InChI

InChI=1S/C11H13NO5/c13-6-2-1-3-8-4-5-9(11(14)15)7-10(8)12(16)17/h4-5,7,13H,1-3,6H2,(H,14,15)