2-(4-bromanyl-2-methoxy-phenyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(4-bromanyl-2-methoxy-phenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(4-bromo-2-methoxy-phenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(4-bromo-2-methoxyphenyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-2-methoxyphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-bromo-2-methoxy-phenyl)-4-nitro-isoindoline-1,3-quinone Formula: C15H9BrN2O5 MolecularWeight: 377.14636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H9BrN2O5/c1-23-12-7-8(16)5-6-10(12)17-14(19)9-3-2-4-11(18(21)22)13(9)15(17)20/h2-7H,1H3