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

Systemtic Name: (2S)-2-(4-methyl-2-nitro-phenoxy)butanoic acid Openeye Name: (2S)-2-(4-methyl-2-nitro-phenoxy)butanoic acid CAS Name: (2S)-2-(4-methyl-2-nitrophenoxy)butanoic acid IUPAC Name: (2S)-2-(4-methyl-2-nitrophenoxy)butanoic acid Traditional Name: (2S)-2-(4-methyl-2-nitro-phenoxy)butyric acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C(=O)O)OC1=C(C=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO5/c1-3-9(11(13)14)17-10-5-4-7(2)6-8(10)12(15)16/h4-6,9H,3H2,1-2H3,(H,13,14)/t9-/m0/s1