3-chloranyl-8,8-diethyl-6-oxidanylidene-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile

Systemtic Name: 3-chloranyl-8,8-diethyl-6-oxidanylidene-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile Openeye Name: 3-chloro-8,8-diethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile CAS Name: 3-chloro-8,8-diethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile IUPAC Name: 3-chloro-8,8-diethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile Traditional Name: 3-chloro-8,8-diethyl-6-keto-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile Formula: C12H13ClN4O MolecularWeight: 264.71082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2NC(=C(C1(C(=O)N2)C#N)C#N)Cl)CC

Isomeric SMILES

CCC1(C2NC(=C(C1(C(=O)N2)C#N)C#N)Cl)CC

InChI

InChI=1S/C12H13ClN4O/c1-3-11(4-2)9-16-8(13)7(5-14)12(11,6-15)10(18)17-9/h9,16H,3-4H2,1-2H3,(H,17,18)