4,6-bis(2-methylpropyl)-3-nitro-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4,6-bis(2-methylpropyl)-3-nitro-cyclohexa-3,5-diene-1,2-dione Openeye Name: 4,6-diisobutyl-3-nitro-1,2-benzoquinone CAS Name: 4,6-bis(2-methylpropyl)-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 4,6-bis(2-methylpropyl)-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 4,6-diisobutyl-3-nitro-o-benzoquinone Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-8(2)5-10-7-11(6-9(3)4)13(16)14(17)12(10)15(18)19/h7-9H,5-6H2,1-4H3