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

Systemtic Name: ethyl 2-(hexadecanoylamino)-3-(3-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-(hexadecanoylamino)-3-hydroxy-3-(3-nitrophenyl)propanoate CAS Name: 3-hydroxy-3-(3-nitrophenyl)-2-(1-oxohexadecylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-(hexadecanoylamino)-3-hydroxy-3-(3-nitrophenyl)propanoate Traditional Name: 3-hydroxy-3-(3-nitrophenyl)-2-palmitamido-propionic acid ethyl ester Formula: C27H44N2O6 MolecularWeight: 492.64806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N2O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-24(30)28-25(27(32)35-4-2)26(31)22-18-17-19-23(21-22)29(33)34/h17-19,21,25-26,31H,3-16,20H2,1-2H3,(H,28,30)