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

Systemtic Name: (4-bromophenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-bromophenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (4-bromophenyl) ester Formula: C17H11BrN2O6 MolecularWeight: 419.18304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrN2O6/c18-10-4-6-11(7-5-10)26-14(21)8-9-19-16(22)12-2-1-3-13(20(24)25)15(12)17(19)23/h1-7H,8-9H2