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

Systemtic Name: 3-ethanoyl-1-(2-nitrophenyl)pentane-1,4-dione Openeye Name: 3-acetyl-1-(2-nitrophenyl)pentane-1,4-dione CAS Name: 3-acetyl-1-(2-nitrophenyl)pentane-1,4-dione IUPAC Name: 3-acetyl-1-(2-nitrophenyl)pentane-1,4-dione Traditional Name: 3-acetyl-1-(2-nitrophenyl)pentane-1,4-dione Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-8(15)11(9(2)16)7-13(17)10-5-3-4-6-12(10)14(18)19/h3-6,11H,7H2,1-2H3