2-(2,4-dimethylphenyl)-4-(nitromethyl)cyclopentane-1,3-dione

Systemtic Name: 2-(2,4-dimethylphenyl)-4-(nitromethyl)cyclopentane-1,3-dione Openeye Name: 2-(2,4-dimethylphenyl)-4-(nitromethyl)cyclopentane-1,3-dione CAS Name: 2-(2,4-dimethylphenyl)-4-(nitromethyl)cyclopentane-1,3-dione IUPAC Name: 2-(2,4-dimethylphenyl)-4-(nitromethyl)cyclopentane-1,3-dione Traditional Name: 2-(2,4-dimethylphenyl)-4-(nitromethyl)cyclopentane-1,3-quinone Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=O)CC(C2=O)C[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(=O)CC(C2=O)C[N+](=O)[O-])C

InChI

InChI=1S/C14H15NO4/c1-8-3-4-11(9(2)5-8)13-12(16)6-10(14(13)17)7-15(18)19/h3-5,10,13H,6-7H2,1-2H3