5-azanyl-4-ethanoyl-7-(3-nitrophenyl)-6,7-dihydro-3H-2-benzofuran-1-one

Systemtic Name: 5-azanyl-4-ethanoyl-7-(3-nitrophenyl)-6,7-dihydro-3H-2-benzofuran-1-one Openeye Name: 4-acetyl-5-amino-7-(3-nitrophenyl)-6,7-dihydro-3H-isobenzofuran-1-one CAS Name: 4-acetyl-5-amino-7-(3-nitrophenyl)-6,7-dihydro-3H-isobenzofuran-1-one IUPAC Name: 4-acetyl-5-amino-7-(3-nitrophenyl)-6,7-dihydro-3H-2-benzofuran-1-one Traditional Name: 4-acetyl-5-amino-7-(3-nitrophenyl)-6,7-dihydro-3H-isobenzofuran-1-one Formula: C16H14N2O5 MolecularWeight: 314.29276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CC(C2=C1COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(=O)C1=C(CC(C2=C1COC2=O)C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N2O5/c1-8(19)14-12-7-23-16(20)15(12)11(6-13(14)17)9-3-2-4-10(5-9)18(21)22/h2-5,11H,6-7,17H2,1H3