2-[2,6-bis(oxidanylidene)-3-propyl-5H-pyrimidin-3-ium-4-yl]isoindole-1,3-dione

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3-propyl-5H-pyrimidin-3-ium-4-yl]isoindole-1,3-dione Openeye Name: 2-(2,6-dioxo-3-propyl-5H-pyrimidin-3-ium-4-yl)isoindoline-1,3-dione CAS Name: 2-(2,6-dioxo-3-propyl-5H-pyrimidin-3-ium-4-yl)isoindole-1,3-dione IUPAC Name: 2-(2,6-dioxo-3-propyl-5H-pyrimidin-3-ium-4-yl)isoindole-1,3-dione Traditional Name: 2-(2,6-diketo-3-propyl-5H-pyrimidin-3-ium-4-yl)isoindoline-1,3-quinone Formula: C15H14N3O4+ MolecularWeight: 300.28936

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(CC(=O)NC1=O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC[N+]1=C(CC(=O)NC1=O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H13N3O4/c1-2-7-17-12(8-11(19)16-15(17)22)18-13(20)9-5-3-4-6-10(9)14(18)21/h3-6H,2,7-8H2,1H3/p+1