[2-(2-chloranylethanoylamino)-3-(4-nitrophenyl)-3-oxidanyl-propyl] hexadecanoate

Systemtic Name: [2-(2-chloranylethanoylamino)-3-(4-nitrophenyl)-3-oxidanyl-propyl] hexadecanoate Openeye Name: [2-[(2-chloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[(2-chloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester IUPAC Name: [2-[(2-chloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate Traditional Name: palmitic acid [2-[(2-chloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester Formula: C27H43ClN2O6 MolecularWeight: 527.09312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43ClN2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(32)36-21-24(29-25(31)20-28)27(33)22-16-18-23(19-17-22)30(34)35/h16-19,24,27,33H,2-15,20-21H2,1H3,(H,29,31)