(2S)-3-methyl-2-(5-methyl-2-nitro-phenoxy)butanoic acid

Systemtic Name: (2S)-3-methyl-2-(5-methyl-2-nitro-phenoxy)butanoic acid Openeye Name: (2S)-3-methyl-2-(5-methyl-2-nitro-phenoxy)butanoic acid CAS Name: (2S)-3-methyl-2-(5-methyl-2-nitrophenoxy)butanoic acid IUPAC Name: (2S)-3-methyl-2-(5-methyl-2-nitrophenoxy)butanoic acid Traditional Name: (2S)-3-methyl-2-(5-methyl-2-nitro-phenoxy)butyric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])O[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C12H15NO5/c1-7(2)11(12(14)15)18-10-6-8(3)4-5-9(10)13(16)17/h4-7,11H,1-3H3,(H,14,15)/t11-/m0/s1