[2,7-dimethyl-6-(4-nitrophenyl)carbonyloxy-octa-2,6-dien-4-yn-3-yl] 4-nitrobenzoate

Systemtic Name: [2,7-dimethyl-6-(4-nitrophenyl)carbonyloxy-octa-2,6-dien-4-yn-3-yl] 4-nitrobenzoate Openeye Name: [1-isopropylidene-5-methyl-4-(4-nitrobenzoyl)oxy-hex-4-en-2-ynyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2,7-dimethyl-6-[(4-nitrophenyl)-oxomethoxy]octa-2,6-dien-4-yn-3-yl] ester IUPAC Name: [2,7-dimethyl-6-(4-nitrobenzoyl)oxyocta-2,6-dien-4-yn-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-isopropylidene-5-methyl-4-(4-nitrobenzoyl)oxy-hex-4-en-2-ynyl] ester Formula: C24H20N2O8 MolecularWeight: 464.4242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O8/c1-15(2)21(33-23(27)17-5-9-19(10-6-17)25(29)30)13-14-22(16(3)4)34-24(28)18-7-11-20(12-8-18)26(31)32/h5-12H,1-4H3