ethyl 3-(3-nitro-4-oxidanyl-phenyl)-2-(octadecanoylamino)propanoate

Systemtic Name: ethyl 3-(3-nitro-4-oxidanyl-phenyl)-2-(octadecanoylamino)propanoate Openeye Name: ethyl 3-(4-hydroxy-3-nitro-phenyl)-2-(octadecanoylamino)propanoate CAS Name: 3-(4-hydroxy-3-nitrophenyl)-2-(1-oxooctadecylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-hydroxy-3-nitrophenyl)-2-(octadecanoylamino)propanoate Traditional Name: 3-(4-hydroxy-3-nitro-phenyl)-2-stearamido-propionic acid ethyl ester Formula: C29H48N2O6 MolecularWeight: 520.70122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C29H48N2O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(33)30-25(29(34)37-4-2)22-24-20-21-27(32)26(23-24)31(35)36/h20-21,23,25,32H,3-19,22H2,1-2H3,(H,30,33)