7-(4-nitrophenyl)carbonyloxyocta-3,5-diyn-2-yl 4-nitrobenzoate

Systemtic Name: 7-(4-nitrophenyl)carbonyloxyocta-3,5-diyn-2-yl 4-nitrobenzoate Openeye Name: [1-methyl-6-(4-nitrobenzoyl)oxy-hepta-2,4-diynyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 7-[(4-nitrophenyl)-oxomethoxy]octa-3,5-diyn-2-yl ester IUPAC Name: 7-(4-nitrobenzoyl)oxyocta-3,5-diyn-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-methyl-6-(4-nitrobenzoyl)oxy-hepta-2,4-diynyl] ester Formula: C22H16N2O8 MolecularWeight: 436.37104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC#CC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C#CC#CC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O8/c1-15(31-21(25)17-7-11-19(12-8-17)23(27)28)5-3-4-6-16(2)32-22(26)18-9-13-20(14-10-18)24(29)30/h7-16H,1-2H3