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

Systemtic Name: 2-[(E)-2-(2-methylphenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[(E)-2-(o-tolyl)vinyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-(2-methylphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-(2-methylphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[(E)-2-(o-tolyl)vinyl]-1H-pyrimidin-6-one Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C13H11N3O4/c1-8-4-2-3-5-9(8)6-7-10-14-12(17)11(16(19)20)13(18)15-10/h2-7H,1H3,(H2,14,15,17,18)/b7-6+