3-[2-(3-nitrophenyl)-2-oxidanylidene-ethylidene]piperazin-2-one

Systemtic Name: 3-[2-(3-nitrophenyl)-2-oxidanylidene-ethylidene]piperazin-2-one Openeye Name: 3-[2-(3-nitrophenyl)-2-oxo-ethylidene]piperazin-2-one CAS Name: 3-[2-(3-nitrophenyl)-2-oxoethylidene]-2-piperazinone IUPAC Name: 3-[2-(3-nitrophenyl)-2-oxoethylidene]piperazin-2-one Traditional Name: 3-[2-keto-2-(3-nitrophenyl)ethylidene]piperazin-2-one Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N1

Isomeric SMILES

C1CNC(=O)C(=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N1

InChI

InChI=1S/C12H11N3O4/c16-11(7-10-12(17)14-5-4-13-10)8-2-1-3-9(6-8)15(18)19/h1-3,6-7,13H,4-5H2,(H,14,17)