[(3Z,6E)-8-ethoxycarbonyloxy-4-[3-(4-nitrophenyl)carbonyloxybut-1-ynyl]octa-3,6-dien-2-yl] 4-nitrobenzoate

Systemtic Name: [(3Z,6E)-8-ethoxycarbonyloxy-4-[3-(4-nitrophenyl)carbonyloxybut-1-ynyl]octa-3,6-dien-2-yl] 4-nitrobenzoate Openeye Name: [(2Z,5E)-7-ethoxycarbonyloxy-1-methyl-3-[3-(4-nitrobenzoyl)oxybut-1-ynyl]hepta-2,5-dienyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3Z,6E)-8-ethoxycarbonyloxy-4-[3-[(4-nitrophenyl)-oxomethoxy]but-1-ynyl]octa-3,6-dien-2-yl] ester IUPAC Name: [(3Z,6E)-8-ethoxycarbonyloxy-4-[3-(4-nitrobenzoyl)oxybut-1-ynyl]octa-3,6-dien-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2Z,5E)-7-carbethoxyoxy-1-methyl-3-[3-(4-nitrobenzoyl)oxybut-1-ynyl]hepta-2,5-dienyl] ester Formula: C29H28N2O11 MolecularWeight: 580.53942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O11/c1-4-39-29(34)40-18-6-5-7-22(19-21(3)42-28(33)24-12-16-26(17-13-24)31(37)38)9-8-20(2)41-27(32)23-10-14-25(15-11-23)30(35)36/h5-6,10-17,19-21H,4,7,18H2,1-3H3/b6-5+,22-19-