4-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-5-nitro-phthalonitrile CAS Name: 4-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-5-nitro-phthalonitrile Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])O)C

InChI

InChI=1S/C16H13N3O4/c1-16(2)5-13(20)15(14(21)6-16)11-3-9(7-17)10(8-18)4-12(11)19(22)23/h3-4,20H,5-6H2,1-2H3