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

Systemtic Name: O2-(2-diethylaminoethyl) O1-ethyl 3-nitrobenzene-1,2-dicarboxylate hydrochloride Openeye Name: O2-(2-diethylaminoethyl) O1-ethyl 3-nitrobenzene-1,2-dicarboxylate hydrochloride CAS Name: 3-nitrobenzene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-ethyl ester hydrochloride IUPAC Name: 2-O-(2-diethylaminoethyl) 1-O-ethyl 3-nitrobenzene-1,2-dicarboxylate hydrochloride Traditional Name: 3-nitrobenzene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-ethyl ester hydrochloride Formula: C16H23ClN2O6 MolecularWeight: 374.81662

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6.ClH/c1-4-17(5-2)10-11-24-16(20)14-12(15(19)23-6-3)8-7-9-13(14)18(21)22;/h7-9H,4-6,10-11H2,1-3H3;1H