(2S)-3-methyl-2-(5-methyl-2-nitro-phenoxy)butanoate

Systemtic Name: (2S)-3-methyl-2-(5-methyl-2-nitro-phenoxy)butanoate Openeye Name: (2S)-3-methyl-2-(5-methyl-2-nitro-phenoxy)butanoate CAS Name: (2S)-3-methyl-2-(5-methyl-2-nitrophenoxy)butanoate IUPAC Name: (2S)-3-methyl-2-(5-methyl-2-nitrophenoxy)butanoate Traditional Name: (2S)-3-methyl-2-(5-methyl-2-nitro-phenoxy)butyrate Formula: C12H14NO5- MolecularWeight: 252.24326

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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)/p-1/t11-/m0/s1