(3E)-1-ethanoyl-3-(pyridin-4-ylmethylidene)piperazine-2,5-dione

Systemtic Name: (3E)-1-ethanoyl-3-(pyridin-4-ylmethylidene)piperazine-2,5-dione Openeye Name: (3E)-1-acetyl-3-(4-pyridylmethylene)piperazine-2,5-dione CAS Name: (3E)-1-acetyl-3-(pyridin-4-ylmethylidene)piperazine-2,5-dione IUPAC Name: (3E)-1-acetyl-3-(pyridin-4-ylmethylidene)piperazine-2,5-dione Traditional Name: (3E)-1-acetyl-3-(4-pyridylmethylene)piperazine-2,5-quinone Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)NC(=CC2=CC=NC=C2)C1=O

Isomeric SMILES

CC(=O)N1CC(=O)N/C(=C/C2=CC=NC=C2)/C1=O

InChI

InChI=1S/C12H11N3O3/c1-8(16)15-7-11(17)14-10(12(15)18)6-9-2-4-13-5-3-9/h2-6H,7H2,1H3,(H,14,17)/b10-6+