(2-bromanyl-4-phenyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2-bromanyl-4-phenyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-bromo-4-phenyl-phenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (2-bromo-4-phenylphenyl) ester IUPAC Name: (2-bromo-4-phenylphenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (2-bromo-4-phenyl-phenyl) ester Formula: C23H15BrN2O6 MolecularWeight: 495.279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C23H15BrN2O6/c24-17-13-15(14-5-2-1-3-6-14)9-10-19(17)32-20(27)11-12-25-22(28)16-7-4-8-18(26(30)31)21(16)23(25)29/h1-10,13H,11-12H2