6,6-dimethyl-3-(3-nitrophenyl)-5,7-dihydro-1-benzofuran-4-one

Systemtic Name: 6,6-dimethyl-3-(3-nitrophenyl)-5,7-dihydro-1-benzofuran-4-one Openeye Name: 6,6-dimethyl-3-(3-nitrophenyl)-5,7-dihydrobenzofuran-4-one CAS Name: 6,6-dimethyl-3-(3-nitrophenyl)-5,7-dihydrobenzofuran-4-one IUPAC Name: 6,6-dimethyl-3-(3-nitrophenyl)-5,7-dihydro-1-benzofuran-4-one Traditional Name: 6,6-dimethyl-3-(3-nitrophenyl)-5,7-dihydrobenzofuran-4-one Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=CO2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=CO2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H15NO4/c1-16(2)7-13(18)15-12(9-21-14(15)8-16)10-4-3-5-11(6-10)17(19)20/h3-6,9H,7-8H2,1-2H3