2-[2-(2-butan-2-yloxyphenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(2-butan-2-yloxyphenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[2-(2-sec-butoxyphenyl)vinyl]-1H-pyrimidin-6-one CAS Name: 2-[2-(2-butan-2-yloxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[2-(2-butan-2-yloxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[2-(2-sec-butoxyphenyl)vinyl]-1H-pyrimidin-6-one Formula: C16H17N3O5 MolecularWeight: 331.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC=C1C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CCC(C)OC1=CC=CC=C1C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C16H17N3O5/c1-3-10(2)24-12-7-5-4-6-11(12)8-9-13-17-15(20)14(19(22)23)16(21)18-13/h4-10H,3H2,1-2H3,(H2,17,18,20,21)