2,4,5,6,6-pentamethyl-3-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 2,4,5,6,6-pentamethyl-3-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 2,4,5,6,6-pentamethyl-3-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2,4,5,6,6-pentamethyl-3-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 2,4,5,6,6-pentamethyl-3-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2,4,5,6,6-pentamethyl-3-nitro-cyclohexa-2,4-dien-1-one Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO3/c1-6-8(3)11(4,5)10(13)7(2)9(6)12(14)15/h1-5H3