2,4,4-trimethyl-1-(3-nitrophenyl)pentane-1,3-dione

Systemtic Name: 2,4,4-trimethyl-1-(3-nitrophenyl)pentane-1,3-dione Openeye Name: 2,4,4-trimethyl-1-(3-nitrophenyl)pentane-1,3-dione CAS Name: 2,4,4-trimethyl-1-(3-nitrophenyl)pentane-1,3-dione IUPAC Name: 2,4,4-trimethyl-1-(3-nitrophenyl)pentane-1,3-dione Traditional Name: 2,4,4-trimethyl-1-(3-nitrophenyl)pentane-1,3-dione Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-9(13(17)14(2,3)4)12(16)10-6-5-7-11(8-10)15(18)19/h5-9H,1-4H3