5-nitro-6-[(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 5-nitro-6-[(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl]-1H-pyrimidine-2,4-dione Openeye Name: 5-nitro-6-[(3-oxo-1H-isobenzofuran-1-yl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 5-nitro-6-[(3-oxo-1H-isobenzofuran-1-yl)methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 5-nitro-6-[(3-oxo-1H-2-benzofuran-1-yl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 5-nitro-6-(phthalidylmethyl)uracil Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6/c17-11-10(16(20)21)8(14-13(19)15-11)5-9-6-3-1-2-4-7(6)12(18)22-9/h1-4,9H,5H2,(H2,14,15,17,19)