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

Systemtic Name: (2S)-2-(5-methyl-2-nitro-phenoxy)butanoate Openeye Name: (2S)-2-(5-methyl-2-nitro-phenoxy)butanoate CAS Name: (2S)-2-(5-methyl-2-nitrophenoxy)butanoate IUPAC Name: (2S)-2-(5-methyl-2-nitrophenoxy)butanoate Traditional Name: (2S)-2-(5-methyl-2-nitro-phenoxy)butyrate Formula: C11H12NO5- MolecularWeight: 238.21668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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