5-nitro-1,3-diazinane-2,4,6-trione; 1-phenyl-3-pyridin-1-ium-1-yl-propan-2-one

Systemtic Name: 5-nitro-1,3-diazinane-2,4,6-trione; 1-phenyl-3-pyridin-1-ium-1-yl-propan-2-one Openeye Name: 5-nitrohexahydropyrimidine-2,4,6-trione; 1-phenyl-3-pyridin-1-ium-1-yl-propan-2-one CAS Name: 5-nitro-1,3-diazinane-2,4,6-trione; 1-phenyl-3-(1-pyridin-1-iumyl)-2-propanone IUPAC Name: 5-nitro-1,3-diazinane-2,4,6-trione; 1-phenyl-3-pyridin-1-ium-1-ylpropan-2-one Traditional Name: 5-nitrobarbituric acid; 1-phenyl-3-pyridin-1-ium-1-yl-acetone Formula: C18H17N4O6+ MolecularWeight: 385.35078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C[N+]2=CC=CC=C2.C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C[N+]2=CC=CC=C2.C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-]

InChI

InChI=1S/C14H14NO.C4H3N3O5/c16-14(11-13-7-3-1-4-8-13)12-15-9-5-2-6-10-15;8-2-1(7(11)12)3(9)6-4(10)5-2/h1-10H,11-12H2;1H,(H2,5,6,8,9,10)/q+1;