2,3-dimethyl-5,6-bis[(1-nitrocyclohexyl)methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethyl-5,6-bis[(1-nitrocyclohexyl)methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethyl-5,6-bis[(1-nitrocyclohexyl)methyl]-1,4-benzoquinone CAS Name: 2,3-dimethyl-5,6-bis[(1-nitrocyclohexyl)methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethyl-5,6-bis[(1-nitrocyclohexyl)methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3-dimethyl-5,6-bis[(1-nitrocyclohexyl)methyl]-p-benzoquinone Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)CC2(CCCCC2)[N+](=O)[O-])CC3(CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)CC2(CCCCC2)[N+](=O)[O-])CC3(CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C22H30N2O6/c1-15-16(2)20(26)18(14-22(24(29)30)11-7-4-8-12-22)17(19(15)25)13-21(23(27)28)9-5-3-6-10-21/h3-14H2,1-2H3