3-iodanyl-1,8,8-trimethyl-6-oxidanylidene-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile

Systemtic Name: 3-iodanyl-1,8,8-trimethyl-6-oxidanylidene-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile Openeye Name: 3-iodo-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile CAS Name: 3-iodo-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile IUPAC Name: 3-iodo-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile Traditional Name: 3-iodo-6-keto-1,8,8-trimethyl-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile Formula: C11H11IN4O MolecularWeight: 342.13571

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(NC(=C(C1(C(=O)N2)C#N)C#N)I)C)C

Isomeric SMILES

CC1(C2(NC(=C(C1(C(=O)N2)C#N)C#N)I)C)C

InChI

InChI=1S/C11H11IN4O/c1-9(2)10(3)15-7(12)6(4-13)11(9,5-14)8(17)16-10/h15H,1-3H3,(H,16,17)