5-ethoxy-1-(3-nitrophenyl)pentane-1,3-dione

Systemtic Name: 5-ethoxy-1-(3-nitrophenyl)pentane-1,3-dione Openeye Name: 5-ethoxy-1-(3-nitrophenyl)pentane-1,3-dione CAS Name: 5-ethoxy-1-(3-nitrophenyl)pentane-1,3-dione IUPAC Name: 5-ethoxy-1-(3-nitrophenyl)pentane-1,3-dione Traditional Name: 5-ethoxy-1-(3-nitrophenyl)pentane-1,3-dione Formula: C13H15NO5 MolecularWeight: 265.2619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-2-19-7-6-12(15)9-13(16)10-4-3-5-11(8-10)14(17)18/h3-5,8H,2,6-7,9H2,1H3