5-[(1S)-1-(4-hydroxyphenyl)-2-nitro-ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate

Systemtic Name: 5-[(1S)-1-(4-hydroxyphenyl)-2-nitro-ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate Openeye Name: 5-[(1S)-1-(4-hydroxyphenyl)-2-nitro-ethyl]-2,4-dioxo-1H-pyrimidin-6-olate CAS Name: 5-[(1S)-1-(4-hydroxyphenyl)-2-nitroethyl]-2,4-dioxo-1H-pyrimidin-6-olate IUPAC Name: 5-[(1S)-1-(4-hydroxyphenyl)-2-nitroethyl]-2,4-dioxo-1H-pyrimidin-6-olate Traditional Name: 5-[(1S)-1-(4-hydroxyphenyl)-2-nitro-ethyl]-2,4-diketo-1H-pyrimidin-6-olate Formula: C12H10N3O6- MolecularWeight: 292.2243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])C2=C(NC(=O)NC2=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1[C@H](C[N+](=O)[O-])C2=C(NC(=O)NC2=O)[O-])O

InChI

InChI=1S/C12H11N3O6/c16-7-3-1-6(2-4-7)8(5-15(20)21)9-10(17)13-12(19)14-11(9)18/h1-4,8,16H,5H2,(H3,13,14,17,18,19)/p-1/t8-/m0/s1