(4-bromophenyl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (4-bromophenyl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4-bromophenyl) 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (4-bromophenyl) ester Formula: C16H9BrN2O6 MolecularWeight: 405.15646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H9BrN2O6/c17-9-4-6-10(7-5-9)25-13(20)8-18-15(21)11-2-1-3-12(19(23)24)14(11)16(18)22/h1-7H,8H2