2-(2,4-dimethyl-1-nitro-3-oxidanylidene-pentan-2-yl)cyclopentan-1-one

Systemtic Name: 2-(2,4-dimethyl-1-nitro-3-oxidanylidene-pentan-2-yl)cyclopentan-1-one Openeye Name: 2-[1,3-dimethyl-1-(nitromethyl)-2-oxo-butyl]cyclopentanone CAS Name: 2-(2,4-dimethyl-1-nitro-3-oxopentan-2-yl)-1-cyclopentanone IUPAC Name: 2-(2,4-dimethyl-1-nitro-3-oxopentan-2-yl)cyclopentan-1-one Traditional Name: 2-[2-keto-1,3-dimethyl-1-(nitromethyl)butyl]cyclopentanone Formula: C12H19NO4 MolecularWeight: 241.28356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C)(C[N+](=O)[O-])C1CCCC1=O

Isomeric SMILES

CC(C)C(=O)C(C)(C[N+](=O)[O-])C1CCCC1=O

InChI

InChI=1S/C12H19NO4/c1-8(2)11(15)12(3,7-13(16)17)9-5-4-6-10(9)14/h8-9H,4-7H2,1-3H3