2-(3-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-(3-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: 2-(4-hydroxy-3-nitrophenyl)propanoic acid IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)propionic acid Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO5/c1-5(9(12)13)6-2-3-8(11)7(4-6)10(14)15/h2-5,11H,1H3,(H,12,13)