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

Systemtic Name: ethyl 3-(3-nitrophenyl)-2-(octadecanoylamino)-3-oxidanyl-propanoate Openeye Name: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(octadecanoylamino)propanoate CAS Name: 3-hydroxy-3-(3-nitrophenyl)-2-(1-oxooctadecylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(octadecanoylamino)propanoate Traditional Name: 3-hydroxy-3-(3-nitrophenyl)-2-stearamido-propionic acid ethyl ester Formula: C29H48N2O6 MolecularWeight: 520.70122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N2O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(32)30-27(29(34)37-4-2)28(33)24-20-19-21-25(23-24)31(35)36/h19-21,23,27-28,33H,3-18,22H2,1-2H3,(H,30,32)