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

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3-propyl-piperidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-(2,6-dioxo-3-propyl-3-piperidyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(2,6-dioxo-3-propyl-3-piperidinyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(2,6-dioxo-3-propylpiperidin-3-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(2,6-diketo-3-propyl-3-piperidyl)-4-nitro-isoindoline-1,3-quinone Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC(=O)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1(CCC(=O)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c1-2-7-16(8-6-11(20)17-15(16)23)18-13(21)9-4-3-5-10(19(24)25)12(9)14(18)22/h3-5H,2,6-8H2,1H3,(H,17,20,23)