(3Z)-1-ethanoyl-3-[(3-nitrophenyl)methylidene]piperazine-2,5-dione

Systemtic Name: (3Z)-1-ethanoyl-3-[(3-nitrophenyl)methylidene]piperazine-2,5-dione Openeye Name: (3Z)-1-acetyl-3-[(3-nitrophenyl)methylene]piperazine-2,5-dione CAS Name: (3Z)-1-acetyl-3-[(3-nitrophenyl)methylidene]piperazine-2,5-dione IUPAC Name: (3Z)-1-acetyl-3-[(3-nitrophenyl)methylidene]piperazine-2,5-dione Traditional Name: (3Z)-1-acetyl-3-(3-nitrobenzylidene)piperazine-2,5-quinone Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C1=O

Isomeric SMILES

CC(=O)N1CC(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C1=O

InChI

InChI=1S/C13H11N3O5/c1-8(17)15-7-12(18)14-11(13(15)19)6-9-3-2-4-10(5-9)16(20)21/h2-6H,7H2,1H3,(H,14,18)/b11-6-