6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=C(C(=O)N=CN3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=C(C(=O)N=CN3)C#N)OC1

InChI

InChI=1S/C14H11N3O3/c15-7-10-13(16-8-17-14(10)18)9-2-3-11-12(6-9)20-5-1-4-19-11/h2-3,6,8H,1,4-5H2,(H,16,17,18)