2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C14H11N3O6/c18-13-12(17(20)21)14(19)16-11(15-13)4-2-8-1-3-9-10(7-8)23-6-5-22-9/h1-4,7H,5-6H2,(H2,15,16,18,19)/b4-2+