[1-cyano-4-[2-(3-oxidanylprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl carbonate

Systemtic Name: [1-cyano-4-[2-(3-oxidanylprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl carbonate Openeye Name: [1-cyano-4-[2-(3-hydroxyprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl carbonate CAS Name: carbonic acid [1-cyano-4-[2-(3-hydroxyprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl ester IUPAC Name: [1-cyano-4-[2-(3-hydroxyprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl carbonate Traditional Name: carbonic acid [1-cyano-4-[2-(3-hydroxyprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl ester Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)OC(CC#CC1=CC=CC=C1C#CCO)C#N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(COC(=O)OC(CC#CC1=CC=CC=C1C#CCO)C#N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O6/c1-18(22-13-4-5-14-23(22)26(29)30)17-31-24(28)32-21(16-25)12-6-10-19-8-2-3-9-20(19)11-7-15-27/h2-5,8-9,13-14,18,21,27H,12,15,17H2,1H3