(2S)-3-methyl-2-(3-methyl-4-nitro-phenoxy)butanoic acid

Systemtic Name: (2S)-3-methyl-2-(3-methyl-4-nitro-phenoxy)butanoic acid Openeye Name: (2S)-3-methyl-2-(3-methyl-4-nitro-phenoxy)butanoic acid CAS Name: (2S)-3-methyl-2-(3-methyl-4-nitrophenoxy)butanoic acid IUPAC Name: (2S)-3-methyl-2-(3-methyl-4-nitrophenoxy)butanoic acid Traditional Name: (2S)-3-methyl-2-(3-methyl-4-nitro-phenoxy)butyric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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