3-chloranyl-2-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 3-chloranyl-2-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-5-nitro-benzenecarbonitrile Openeye Name: 3-chloro-2-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-5-nitro-benzonitrile CAS Name: 3-chloro-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-5-nitrobenzonitrile IUPAC Name: 3-chloro-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-5-nitrobenzonitrile Traditional Name: 3-chloro-2-(2,6-diketo-4,4-dimethyl-cyclohexyl)-5-nitro-benzonitrile Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C2=C(C=C(C=C2C#N)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C2=C(C=C(C=C2C#N)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C15H13ClN2O4/c1-15(2)5-11(19)14(12(20)6-15)13-8(7-17)3-9(18(21)22)4-10(13)16/h3-4,14H,5-6H2,1-2H3