5-(3,4-dichlorophenyl)-2-oxidanylidene-3,4-dihydrooxepine-5-carbonitrile

Systemtic Name: 5-(3,4-dichlorophenyl)-2-oxidanylidene-3,4-dihydrooxepine-5-carbonitrile Openeye Name: 5-(3,4-dichlorophenyl)-2-oxo-3,4-dihydrooxepine-5-carbonitrile CAS Name: 5-(3,4-dichlorophenyl)-2-oxo-3,4-dihydrooxepin-5-carbonitrile IUPAC Name: 5-(3,4-dichlorophenyl)-2-oxo-3,4-dihydrooxepine-5-carbonitrile Traditional Name: 5-(3,4-dichlorophenyl)-2-keto-3,4-dihydrooxepin-5-carbonitrile Formula: C13H9Cl2NO2 MolecularWeight: 282.12206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=COC1=O)(C#N)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CC(C=COC1=O)(C#N)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H9Cl2NO2/c14-10-2-1-9(7-11(10)15)13(8-16)4-3-12(17)18-6-5-13/h1-2,5-7H,3-4H2