5-[(2S)-4-methylpentan-2-yl]oxy-2-nitro-benzoic acid

Systemtic Name: 5-[(2S)-4-methylpentan-2-yl]oxy-2-nitro-benzoic acid Openeye Name: 5-[(1S)-1,3-dimethylbutoxy]-2-nitro-benzoic acid CAS Name: 5-[(2S)-4-methylpentan-2-yl]oxy-2-nitrobenzoic acid IUPAC Name: 5-[(2S)-4-methylpentan-2-yl]oxy-2-nitrobenzoic acid Traditional Name: 5-[(1S)-1,3-dimethylbutoxy]-2-nitro-benzoic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-8(2)6-9(3)19-10-4-5-12(14(17)18)11(7-10)13(15)16/h4-5,7-9H,6H2,1-3H3,(H,15,16)/t9-/m0/s1