5-nitro-2-oxidanyl-3-propanoyl-benzoic acid

Systemtic Name: 5-nitro-2-oxidanyl-3-propanoyl-benzoic acid Openeye Name: 2-hydroxy-5-nitro-3-propanoyl-benzoic acid CAS Name: 2-hydroxy-5-nitro-3-(1-oxopropyl)benzoic acid IUPAC Name: 2-hydroxy-5-nitro-3-propanoylbenzoic acid Traditional Name: 2-hydroxy-5-nitro-3-propionyl-benzoic acid Formula: C10H9NO6 MolecularWeight: 239.18156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=CC(=C1O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=CC(=C1O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9NO6/c1-2-8(12)6-3-5(11(16)17)4-7(9(6)13)10(14)15/h3-4,13H,2H2,1H3,(H,14,15)