2-[2,2-bis(oxidanyl)ethyl]-4-[2-(4-nitrophenyl)ethanoyl]-5-oxidanyl-furan-3-one

Systemtic Name: 2-[2,2-bis(oxidanyl)ethyl]-4-[2-(4-nitrophenyl)ethanoyl]-5-oxidanyl-furan-3-one Openeye Name: 2-(2,2-dihydroxyethyl)-5-hydroxy-4-[2-(4-nitrophenyl)acetyl]furan-3-one CAS Name: 2-(2,2-dihydroxyethyl)-5-hydroxy-4-[2-(4-nitrophenyl)-1-oxoethyl]-3-furanone IUPAC Name: 2-(2,2-dihydroxyethyl)-5-hydroxy-4-[2-(4-nitrophenyl)acetyl]furan-3-one Traditional Name: 2-(2,2-dihydroxyethyl)-5-hydroxy-4-[2-(4-nitrophenyl)acetyl]furan-3-one Formula: C14H13NO8 MolecularWeight: 323.25492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)C2=C(OC(C2=O)CC(O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)C2=C(OC(C2=O)CC(O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO8/c16-9(5-7-1-3-8(4-2-7)15(21)22)12-13(19)10(6-11(17)18)23-14(12)20/h1-4,10-11,17-18,20H,5-6H2