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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

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