5-[(2S)-2-ethylhexoxy]-2-nitro-benzoate

Systemtic Name: 5-[(2S)-2-ethylhexoxy]-2-nitro-benzoate Openeye Name: 5-[(2S)-2-ethylhexoxy]-2-nitro-benzoate CAS Name: 5-[(2S)-2-ethylhexoxy]-2-nitrobenzoate IUPAC Name: 5-[(2S)-2-ethylhexoxy]-2-nitrobenzoate Traditional Name: 5-[(2S)-2-ethylhexoxy]-2-nitro-benzoate Formula: C15H20NO5- MolecularWeight: 294.323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-3-5-6-11(4-2)10-21-12-7-8-14(16(19)20)13(9-12)15(17)18/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)/p-1/t11-/m0/s1