4,6-dimethyl-3-nitro-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4,6-dimethyl-3-nitro-cyclohexa-3,5-diene-1,2-dione Openeye Name: 4,6-dimethyl-3-nitro-1,2-benzoquinone CAS Name: 4,6-dimethyl-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 4,6-dimethyl-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 4,6-dimethyl-3-nitro-o-benzoquinone Formula: C8H7NO4 MolecularWeight: 181.14548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4/c1-4-3-5(2)7(10)8(11)6(4)9(12)13/h3H,1-2H3