5,5-dimethyl-1-(2-nitrophenyl)hexane-1,3-dione

Systemtic Name: 5,5-dimethyl-1-(2-nitrophenyl)hexane-1,3-dione Openeye Name: 5,5-dimethyl-1-(2-nitrophenyl)hexane-1,3-dione CAS Name: 5,5-dimethyl-1-(2-nitrophenyl)hexane-1,3-dione IUPAC Name: 5,5-dimethyl-1-(2-nitrophenyl)hexane-1,3-dione Traditional Name: 5,5-dimethyl-1-(2-nitrophenyl)hexane-1,3-dione Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-14(2,3)9-10(16)8-13(17)11-6-4-5-7-12(11)15(18)19/h4-7H,8-9H2,1-3H3