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

Systemtic Name: 5-nitro-4-oxidanyl-2-[(E)-2-(4-propoxyphenyl)ethenyl]-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[(E)-2-(4-propoxyphenyl)vinyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-nitro-2-[(E)-2-(4-propoxyphenyl)ethenyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-nitro-2-[(E)-2-(4-propoxyphenyl)ethenyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[(E)-2-(4-propoxyphenyl)vinyl]-1H-pyrimidin-6-one Formula: C15H15N3O5 MolecularWeight: 317.2967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C15H15N3O5/c1-2-9-23-11-6-3-10(4-7-11)5-8-12-16-14(19)13(18(21)22)15(20)17-12/h3-8H,2,9H2,1H3,(H2,16,17,19,20)/b8-5+