2-ethyl-5-nitro-4-oxidanyl-benzoic acid

Systemtic Name: 2-ethyl-5-nitro-4-oxidanyl-benzoic acid Openeye Name: 2-ethyl-4-hydroxy-5-nitro-benzoic acid CAS Name: 2-ethyl-4-hydroxy-5-nitrobenzoic acid IUPAC Name: 2-ethyl-4-hydroxy-5-nitrobenzoic acid Traditional Name: 2-ethyl-4-hydroxy-5-nitro-benzoic acid Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C9H9NO5/c1-2-5-3-8(11)7(10(14)15)4-6(5)9(12)13/h3-4,11H,2H2,1H3,(H,12,13)