2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H11BrN2O6 MolecularWeight: 419.18304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H11BrN2O6/c1-26-14-6-5-9(7-11(14)18)13(21)8-19-16(22)10-3-2-4-12(20(24)25)15(10)17(19)23/h2-7H,8H2,1H3