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

Systemtic Name: 3-[3,5-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-4-methyl-2-nitro-benzenecarbonitrile Openeye Name: 3-(3,5-dimethyl-2,6-dioxo-cyclohexyl)-4-methyl-2-nitro-benzonitrile CAS Name: 3-(3,5-dimethyl-2,6-dioxocyclohexyl)-4-methyl-2-nitrobenzonitrile IUPAC Name: 3-(3,5-dimethyl-2,6-dioxocyclohexyl)-4-methyl-2-nitrobenzonitrile Traditional Name: 3-(2,6-diketo-3,5-dimethyl-cyclohexyl)-4-methyl-2-nitro-benzonitrile Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1=O)C2=C(C=CC(=C2[N+](=O)[O-])C#N)C)C

Isomeric SMILES

CC1CC(C(=O)C(C1=O)C2=C(C=CC(=C2[N+](=O)[O-])C#N)C)C

InChI

InChI=1S/C16H16N2O4/c1-8-4-5-11(7-17)14(18(21)22)12(8)13-15(19)9(2)6-10(3)16(13)20/h4-5,9-10,13H,6H2,1-3H3