5-bromanyl-2-[3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[3-[4-(2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-keto-3-[4-(2-nitrophenyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C21H19BrN4O5 MolecularWeight: 487.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O5/c22-14-5-6-15-16(13-14)21(29)25(20(15)28)8-7-19(27)24-11-9-23(10-12-24)17-3-1-2-4-18(17)26(30)31/h1-6,13H,7-12H2