6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione

Systemtic Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H13N3O6/c1-16-10(13(18(21)22)14(19)17(2)15(16)20)5-3-9-4-6-11-12(7-9)24-8-23-11/h3-7H,8H2,1-2H3/b5-3+