3-methyl-2-(3-nitro-4-oxidanyl-phenyl)butanoic acid

Systemtic Name: 3-methyl-2-(3-nitro-4-oxidanyl-phenyl)butanoic acid Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)-3-methyl-butanoic acid CAS Name: 2-(4-hydroxy-3-nitrophenyl)-3-methylbutanoic acid IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)-3-methylbutanoic acid Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)-3-methyl-butyric acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5/c1-6(2)10(11(14)15)7-3-4-9(13)8(5-7)12(16)17/h3-6,10,13H,1-2H3,(H,14,15)