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

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-bromo-2,5-dimethoxy-benzyl)-4-nitro-isoindoline-1,3-quinone Formula: C17H13BrN2O6 MolecularWeight: 421.19892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC)Br

InChI

InChI=1S/C17H13BrN2O6/c1-25-13-7-11(18)14(26-2)6-9(13)8-19-16(21)10-4-3-5-12(20(23)24)15(10)17(19)22/h3-7H,8H2,1-2H3