2-[(E)-2-(3-methoxy-4-methyl-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(3-methoxy-4-methyl-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(E)-2-(3-methoxy-4-methyl-phenyl)vinyl]-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(E)-2-(3-methoxy-4-methyl-phenyl)vinyl]-5-nitro-1H-pyrimidin-6-one Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-8-3-4-9(7-10(8)22-2)5-6-11-15-13(18)12(17(20)21)14(19)16-11/h3-7H,1-2H3,(H2,15,16,18,19)/b6-5+