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

Systemtic Name: O1-(2-diethylaminoethyl) O2-(3-methylbutyl) 3-nitrobenzene-1,2-dicarboxylate Openeye Name: O1-(2-diethylaminoethyl) O2-isopentyl 3-nitrobenzene-1,2-dicarboxylate CAS Name: 3-nitrobenzene-1,2-dicarboxylic acid O1-(2-diethylaminoethyl) ester O2-(3-methylbutyl) ester IUPAC Name: 1-O-(2-diethylaminoethyl) 2-O-(3-methylbutyl) 3-nitrobenzene-1,2-dicarboxylate Traditional Name: 3-nitrobenzene-1,2-dicarboxylic acid O1-(2-diethylaminoethyl) ester O2-isoamyl ester Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6/c1-5-20(6-2)11-13-27-18(22)15-8-7-9-16(21(24)25)17(15)19(23)26-12-10-14(3)4/h7-9,14H,5-6,10-13H2,1-4H3