5-bromanyl-2-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[3-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-keto-3-[4-(6-nitro-3-pyridyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C20H18BrN5O5 MolecularWeight: 488.29142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O5/c21-13-1-3-15-16(11-13)20(29)25(19(15)28)6-5-18(27)24-9-7-23(8-10-24)14-2-4-17(22-12-14)26(30)31/h1-4,11-12H,5-10H2