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

Systemtic Name: ethyl 3-(3-nitrophenyl)-3-oxidanyl-2-(tetradecanoylamino)propanoate Openeye Name: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(tetradecanoylamino)propanoate CAS Name: 3-hydroxy-3-(3-nitrophenyl)-2-(1-oxotetradecylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(tetradecanoylamino)propanoate Traditional Name: 3-hydroxy-3-(3-nitrophenyl)-2-(tetradecanoylamino)propionic acid ethyl ester Formula: C25H40N2O6 MolecularWeight: 464.5949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O6/c1-3-5-6-7-8-9-10-11-12-13-14-18-22(28)26-23(25(30)33-4-2)24(29)20-16-15-17-21(19-20)27(31)32/h15-17,19,23-24,29H,3-14,18H2,1-2H3,(H,26,28)