2-[5-bromanyl-2,6-bis(oxidanylidene)piperidin-3-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[5-bromanyl-2,6-bis(oxidanylidene)piperidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-(5-bromo-2,6-dioxo-3-piperidyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(5-bromo-2,6-dioxo-3-piperidinyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(5-bromo-2,6-dioxopiperidin-3-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(5-bromo-2,6-diketo-3-piperidyl)-4-nitro-isoindoline-1,3-quinone Formula: C13H8BrN3O6 MolecularWeight: 382.12312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(=O)C1Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=O)NC(=O)C1Br)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8BrN3O6/c14-6-4-8(11(19)15-10(6)18)16-12(20)5-2-1-3-7(17(22)23)9(5)13(16)21/h1-3,6,8H,4H2,(H,15,18,19)