diethyl 2-[[3-(4-nitrophenyl)-3-oxidanyl-propyl]amino]nonanedioate

Systemtic Name: diethyl 2-[[3-(4-nitrophenyl)-3-oxidanyl-propyl]amino]nonanedioate Openeye Name: diethyl 2-[[3-hydroxy-3-(4-nitrophenyl)propyl]amino]nonanedioate CAS Name: 2-[[3-hydroxy-3-(4-nitrophenyl)propyl]amino]nonanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-hydroxy-3-(4-nitrophenyl)propyl]amino]nonanedioate Traditional Name: 2-[[3-hydroxy-3-(4-nitrophenyl)propyl]amino]azelaic acid diethyl ester Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O7/c1-3-30-21(26)10-8-6-5-7-9-19(22(27)31-4-2)23-16-15-20(25)17-11-13-18(14-12-17)24(28)29/h11-14,19-20,23,25H,3-10,15-16H2,1-2H3