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

Systemtic Name: O1-(2-diethylaminoethyl) O2-(2-methylpropyl) 3-nitrobenzene-1,2-dicarboxylate Openeye Name: O1-(2-diethylaminoethyl) O2-isobutyl 3-nitrobenzene-1,2-dicarboxylate CAS Name: 3-nitrobenzene-1,2-dicarboxylic acid O1-(2-diethylaminoethyl) ester O2-(2-methylpropyl) ester IUPAC Name: 1-O-(2-diethylaminoethyl) 2-O-(2-methylpropyl) 3-nitrobenzene-1,2-dicarboxylate Traditional Name: 3-nitrobenzene-1,2-dicarboxylic acid O1-(2-diethylaminoethyl) ester O2-isobutyl ester Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6/c1-5-19(6-2)10-11-25-17(21)14-8-7-9-15(20(23)24)16(14)18(22)26-12-13(3)4/h7-9,13H,5-6,10-12H2,1-4H3