6-(6-chloranyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(6-chloranyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C12H6ClN3O3 MolecularWeight: 275.64734

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3=C(C(=O)N=CN3)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C3=C(C(=O)N=CN3)C#N)Cl

InChI

InChI=1S/C12H6ClN3O3/c13-8-2-10-9(18-5-19-10)1-6(8)11-7(3-14)12(17)16-4-15-11/h1-2,4H,5H2,(H,15,16,17)