[(2R)-1-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]-5-phenyl-pent-4-yn-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2R)-1-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]-5-phenyl-pent-4-yn-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1R)-1-[[(2S)-2-methyl-5-oxo-2H-furan-4-yl]methyl]-4-phenyl-but-3-ynyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2R)-1-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]-5-phenylpent-4-yn-2-yl] ester IUPAC Name: [(2R)-1-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]-5-phenylpent-4-yn-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R)-1-[[(2S)-5-keto-2-methyl-2H-furan-4-yl]methyl]-4-phenyl-but-3-ynyl] ester Formula: C23H18N2O8 MolecularWeight: 450.39762

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=O)O1)CC(CC#CC2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C=C(C(=O)O1)C[C@@H](CC#CC2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O8/c1-15-10-17(22(26)32-15)13-21(9-5-8-16-6-3-2-4-7-16)33-23(27)18-11-19(24(28)29)14-20(12-18)25(30)31/h2-4,6-7,10-12,14-15,21H,9,13H2,1H3/t15-,21+/m0/s1