3-(5-bromanyl-2-methoxy-phenyl)-6,7-dimethoxy-4-nitro-3H-2-benzofuran-1-one

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-6,7-dimethoxy-4-nitro-3H-2-benzofuran-1-one Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-6,7-dimethoxy-4-nitro-3H-isobenzofuran-1-one CAS Name: 3-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-4-nitro-3H-isobenzofuran-1-one IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-4-nitro-3H-2-benzofuran-1-one Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-6,7-dimethoxy-4-nitro-phthalide Formula: C17H14BrNO7 MolecularWeight: 424.19956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2C3=C(C(=C(C=C3[N+](=O)[O-])OC)OC)C(=O)O2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2C3=C(C(=C(C=C3[N+](=O)[O-])OC)OC)C(=O)O2

InChI

InChI=1S/C17H14BrNO7/c1-23-11-5-4-8(18)6-9(11)15-13-10(19(21)22)7-12(24-2)16(25-3)14(13)17(20)26-15/h4-7,15H,1-3H3