6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-1H-pyrimidine-4-carbonitrile

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-1H-pyrimidine-4-carbonitrile Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyrimidine-4-carbonitrile CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyrimidine-4-carbonitrile IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1H-pyrimidine-4-carbonitrile Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-1H-pyrimidine-4-carbonitrile Formula: C13H9N3O3 MolecularWeight: 255.22886

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC(=NC(=O)N3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC(=NC(=O)N3)C#N

InChI

InChI=1S/C13H9N3O3/c14-7-9-6-10(16-13(17)15-9)8-1-2-11-12(5-8)19-4-3-18-11/h1-2,5-6H,3-4H2,(H,15,16,17)