[(2Z,6E)-6-(4-nitrophenyl)carbonyloxyocta-2,6-dien-4-yn-3-yl] 4-nitrobenzoate

Systemtic Name: [(2Z,6E)-6-(4-nitrophenyl)carbonyloxyocta-2,6-dien-4-yn-3-yl] 4-nitrobenzoate Openeye Name: [(E,1Z)-1-ethylidene-4-(4-nitrobenzoyl)oxy-hex-4-en-2-ynyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2Z,6E)-6-[(4-nitrophenyl)-oxomethoxy]octa-2,6-dien-4-yn-3-yl] ester IUPAC Name: [(2Z,6E)-6-(4-nitrobenzoyl)oxyocta-2,6-dien-4-yn-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E,1Z)-1-ethylidene-4-(4-nitrobenzoyl)oxy-hex-4-en-2-ynyl] ester Formula: C22H16N2O8 MolecularWeight: 436.37104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(\C#C/C(=C/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/c1-3-19(31-21(25)15-5-9-17(10-6-15)23(27)28)13-14-20(4-2)32-22(26)16-7-11-18(12-8-16)24(29)30/h3-12H,1-2H3/b19-3-,20-4+