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

Systemtic Name: 2-[3-ethyl-2,6-bis(oxidanylidene)piperidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-(3-ethyl-2,6-dioxo-3-piperidyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(3-ethyl-2,6-dioxo-3-piperidinyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(3-ethyl-2,6-dioxopiperidin-3-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(3-ethyl-2,6-diketo-3-piperidyl)-4-nitro-isoindoline-1,3-quinone Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(=O)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1(CCC(=O)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c1-2-15(7-6-10(19)16-14(15)22)17-12(20)8-4-3-5-9(18(23)24)11(8)13(17)21/h3-5H,2,6-7H2,1H3,(H,16,19,22)