3-[(2S)-butan-2-yl]-5-nitro-2-oxidanyl-benzoic acid

Systemtic Name: 3-[(2S)-butan-2-yl]-5-nitro-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-[(1S)-1-methylpropyl]-5-nitro-benzoic acid CAS Name: 3-[(2S)-butan-2-yl]-2-hydroxy-5-nitrobenzoic acid IUPAC Name: 3-[(2S)-butan-2-yl]-2-hydroxy-5-nitrobenzoic acid Traditional Name: 2-hydroxy-3-[(1S)-1-methylpropyl]-5-nitro-benzoic acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5/c1-3-6(2)8-4-7(12(16)17)5-9(10(8)13)11(14)15/h4-6,13H,3H2,1-2H3,(H,14,15)/t6-/m0/s1