2-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2-bromo-4,5-diethoxyphenyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2-bromo-4,5-diethoxyphenyl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-(2-bromo-4,5-diethoxy-benzyl)-5-nitro-isoindoline-1,3-quinone Formula: C19H17BrN2O6 MolecularWeight: 449.25208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C19H17BrN2O6/c1-3-27-16-7-11(15(20)9-17(16)28-4-2)10-21-18(23)13-6-5-12(22(25)26)8-14(13)19(21)24/h5-9H,3-4,10H2,1-2H3