ethyl 2-(dodecanoylamino)-3-(3-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-(dodecanoylamino)-3-(3-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-(dodecanoylamino)-3-hydroxy-3-(3-nitrophenyl)propanoate CAS Name: 3-hydroxy-3-(3-nitrophenyl)-2-(1-oxododecylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-(dodecanoylamino)-3-hydroxy-3-(3-nitrophenyl)propanoate Traditional Name: 3-hydroxy-2-(lauroylamino)-3-(3-nitrophenyl)propionic acid ethyl ester Formula: C23H36N2O6 MolecularWeight: 436.54174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C(C1=CC(=CC=C1)[N+](=O)[O-])O)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(C(C1=CC(=CC=C1)[N+](=O)[O-])O)C(=O)OCC

InChI

InChI=1S/C23H36N2O6/c1-3-5-6-7-8-9-10-11-12-16-20(26)24-21(23(28)31-4-2)22(27)18-14-13-15-19(17-18)25(29)30/h13-15,17,21-22,27H,3-12,16H2,1-2H3,(H,24,26)