[(2S)-2-ethylhexyl] 4-nitrobenzoate

Systemtic Name: [(2S)-2-ethylhexyl] 4-nitrobenzoate Openeye Name: [(2S)-2-ethylhexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2-ethylhexyl] ester IUPAC Name: [(2S)-2-ethylhexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-ethylhexyl] ester Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-3-5-6-12(4-2)11-20-15(17)13-7-9-14(10-8-13)16(18)19/h7-10,12H,3-6,11H2,1-2H3/t12-/m0/s1