3-(3-nitro-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(3-nitro-2-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(2-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: 3-(2-hydroxy-3-nitrophenyl)propanoic acid IUPAC Name: 3-(2-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: 3-(2-hydroxy-3-nitro-phenyl)propionic acid Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO5/c11-8(12)5-4-6-2-1-3-7(9(6)13)10(14)15/h1-3,13H,4-5H2,(H,11,12)