2-(2,4-dimethyl-6-nitro-phenyl)cyclopentane-1,3-dione

Systemtic Name: 2-(2,4-dimethyl-6-nitro-phenyl)cyclopentane-1,3-dione Openeye Name: 2-(2,4-dimethyl-6-nitro-phenyl)cyclopentane-1,3-dione CAS Name: 2-(2,4-dimethyl-6-nitrophenyl)cyclopentane-1,3-dione IUPAC Name: 2-(2,4-dimethyl-6-nitrophenyl)cyclopentane-1,3-dione Traditional Name: 2-(2,4-dimethyl-6-nitro-phenyl)cyclopentane-1,3-quinone Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])C2C(=O)CCC2=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])C2C(=O)CCC2=O)C

InChI

InChI=1S/C13H13NO4/c1-7-5-8(2)12(9(6-7)14(17)18)13-10(15)3-4-11(13)16/h5-6,13H,3-4H2,1-2H3