O2-ethyl O1-hexyl 4-nitrobenzene-1,2-dicarboxylate

Systemtic Name: O2-ethyl O1-hexyl 4-nitrobenzene-1,2-dicarboxylate Openeye Name: O2-ethyl O1-hexyl 4-nitrobenzene-1,2-dicarboxylate CAS Name: 4-nitrobenzene-1,2-dicarboxylic acid O2-ethyl ester O1-hexyl ester IUPAC Name: 2-O-ethyl 1-O-hexyl 4-nitrobenzene-1,2-dicarboxylate Traditional Name: 4-nitrobenzene-1,2-dicarboxylic acid O2-ethyl ester O1-hexyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H21NO6/c1-3-5-6-7-10-23-15(18)13-9-8-12(17(20)21)11-14(13)16(19)22-4-2/h8-9,11H,3-7,10H2,1-2H3