bis(2-methylpentyl) 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: bis(2-methylpentyl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: bis(2-methylpentyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid bis(2-methylpentyl) ester IUPAC Name: bis(2-methylpentyl) 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid bis(2-methylpentyl) ester Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(C)CCC

Isomeric SMILES

CCCC(C)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(C)CCC

InChI

InChI=1S/C20H29NO6/c1-5-7-14(3)12-26-19(22)16-9-17(11-18(10-16)21(24)25)20(23)27-13-15(4)8-6-2/h9-11,14-15H,5-8,12-13H2,1-4H3