5,5-dinitro-5-(3-nitrophenyl)pentan-2-one

Systemtic Name: 5,5-dinitro-5-(3-nitrophenyl)pentan-2-one Openeye Name: 5,5-dinitro-5-(3-nitrophenyl)pentan-2-one CAS Name: 5,5-dinitro-5-(3-nitrophenyl)-2-pentanone IUPAC Name: 5,5-dinitro-5-(3-nitrophenyl)pentan-2-one Traditional Name: 5,5-dinitro-5-(3-nitrophenyl)pentan-2-one Formula: C11H11N3O7 MolecularWeight: 297.22094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O7/c1-8(15)5-6-11(13(18)19,14(20)21)9-3-2-4-10(7-9)12(16)17/h2-4,7H,5-6H2,1H3