3-[1-deuterio-3-oxidanylidene-1-(2,3,5,6-tetradeuterio-4-nitro-phenyl)butyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[1-deuterio-3-oxidanylidene-1-(2,3,5,6-tetradeuterio-4-nitro-phenyl)butyl]-2-oxidanyl-chromen-4-one Openeye Name: 3-[1-deuterio-3-oxo-1-(2,3,5,6-tetradeuterio-4-nitro-phenyl)butyl]-2-hydroxy-chromen-4-one CAS Name: 3-[1-deuterio-3-oxo-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)butyl]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-[1-deuterio-3-oxo-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)butyl]-2-hydroxychromen-4-one Traditional Name: 3-[1-deuterio-3-keto-1-(2,3,5,6-tetradeuterio-4-nitro-phenyl)butyl]-2-hydroxy-chromone Formula: C19H15NO6 MolecularWeight: 358.356309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C([2H])(CC(=O)C)C2=C(OC3=CC=CC=C3C2=O)O)[2H])[2H])[N+](=O)[O-])[2H]

InChI

InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,23H,10H2,1H3/i6D,7D,8D,9D,15D