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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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