3,5,5-trimethyl-2-(2-nitropropyl)cyclohex-2-en-1-one

Systemtic Name: 3,5,5-trimethyl-2-(2-nitropropyl)cyclohex-2-en-1-one Openeye Name: 3,5,5-trimethyl-2-(2-nitropropyl)cyclohex-2-en-1-one CAS Name: 3,5,5-trimethyl-2-(2-nitropropyl)-1-cyclohex-2-enone IUPAC Name: 3,5,5-trimethyl-2-(2-nitropropyl)cyclohex-2-en-1-one Traditional Name: 3,5,5-trimethyl-2-(2-nitropropyl)cyclohex-2-en-1-one Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3/c1-8-6-12(3,4)7-11(14)10(8)5-9(2)13(15)16/h9H,5-7H2,1-4H3