4-[2,4-bis(oxidanylidene)piperidin-3-yl]carbonyl-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2,4-bis(oxidanylidene)piperidin-3-yl]carbonyl-3-nitro-benzenecarbonitrile Openeye Name: 4-(2,4-dioxopiperidine-3-carbonyl)-3-nitro-benzonitrile CAS Name: 4-[(2,4-dioxo-3-piperidinyl)-oxomethyl]-3-nitrobenzonitrile IUPAC Name: 4-(2,4-dioxopiperidine-3-carbonyl)-3-nitrobenzonitrile Traditional Name: 4-(2,4-diketonipecotoyl)-3-nitro-benzonitrile Formula: C13H9N3O5 MolecularWeight: 287.22766

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5/c14-6-7-1-2-8(9(5-7)16(20)21)12(18)11-10(17)3-4-15-13(11)19/h1-2,5,11H,3-4H2,(H,15,19)