2-butanoyl-5-(4-nitrophenyl)cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-(4-nitrophenyl)cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-(4-nitrophenyl)cyclohexane-1,3-dione CAS Name: 5-(4-nitrophenyl)-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-(4-nitrophenyl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-(4-nitrophenyl)cyclohexane-1,3-quinone Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5/c1-2-3-13(18)16-14(19)8-11(9-15(16)20)10-4-6-12(7-5-10)17(21)22/h4-7,11,16H,2-3,8-9H2,1H3