(2S)-3-methyl-2-(3-methyl-4-nitro-phenoxy)butanoate

Systemtic Name: (2S)-3-methyl-2-(3-methyl-4-nitro-phenoxy)butanoate Openeye Name: (2S)-3-methyl-2-(3-methyl-4-nitro-phenoxy)butanoate CAS Name: (2S)-3-methyl-2-(3-methyl-4-nitrophenoxy)butanoate IUPAC Name: (2S)-3-methyl-2-(3-methyl-4-nitrophenoxy)butanoate Traditional Name: (2S)-3-methyl-2-(3-methyl-4-nitro-phenoxy)butyrate Formula: C12H14NO5- MolecularWeight: 252.24326

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