3-nitro-4-oxidanyl-5-propyl-benzoic acid

Systemtic Name: 3-nitro-4-oxidanyl-5-propyl-benzoic acid Openeye Name: 4-hydroxy-3-nitro-5-propyl-benzoic acid CAS Name: 4-hydroxy-3-nitro-5-propylbenzoic acid IUPAC Name: 4-hydroxy-3-nitro-5-propylbenzoic acid Traditional Name: 4-hydroxy-3-nitro-5-propyl-benzoic acid Formula: C10H11NO5 MolecularWeight: 225.19804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C10H11NO5/c1-2-3-6-4-7(10(13)14)5-8(9(6)12)11(15)16/h4-5,12H,2-3H2,1H3,(H,13,14)