6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C13H9N3O3 MolecularWeight: 255.22886

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C(=O)N=CN3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C(=O)N=CN3)C#N

InChI

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