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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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