O1-(2-diethylaminoethyl) O2-hexyl 3-nitrobenzene-1,2-dicarboxylate

Systemtic Name: O1-(2-diethylaminoethyl) O2-hexyl 3-nitrobenzene-1,2-dicarboxylate Openeye Name: O1-(2-diethylaminoethyl) O2-hexyl 3-nitrobenzene-1,2-dicarboxylate CAS Name: 3-nitrobenzene-1,2-dicarboxylic acid O1-(2-diethylaminoethyl) ester O2-hexyl ester IUPAC Name: 1-O-(2-diethylaminoethyl) 2-O-hexyl 3-nitrobenzene-1,2-dicarboxylate Traditional Name: 3-nitrobenzene-1,2-dicarboxylic acid O1-(2-diethylaminoethyl) ester O2-hexyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6/c1-4-7-8-9-14-27-20(24)18-16(11-10-12-17(18)22(25)26)19(23)28-15-13-21(5-2)6-3/h10-12H,4-9,13-15H2,1-3H3