3-(4-nitrophenyl)-3-oxidanyl-hexane-2,5-dione

Systemtic Name: 3-(4-nitrophenyl)-3-oxidanyl-hexane-2,5-dione Openeye Name: 3-hydroxy-3-(4-nitrophenyl)hexane-2,5-dione CAS Name: 3-hydroxy-3-(4-nitrophenyl)hexane-2,5-dione IUPAC Name: 3-hydroxy-3-(4-nitrophenyl)hexane-2,5-dione Traditional Name: 3-hydroxy-3-(4-nitrophenyl)hexane-2,5-dione Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-8(14)7-12(16,9(2)15)10-3-5-11(6-4-10)13(17)18/h3-6,16H,7H2,1-2H3