5-nitro-1-(2-oxidanyl-3-phenoxy-propyl)pyrimidine-2,4-dione

Systemtic Name: 5-nitro-1-(2-oxidanyl-3-phenoxy-propyl)pyrimidine-2,4-dione Openeye Name: 1-(2-hydroxy-3-phenoxy-propyl)-5-nitro-pyrimidine-2,4-dione CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-5-nitropyrimidine-2,4-dione IUPAC Name: 1-(2-hydroxy-3-phenoxypropyl)-5-nitropyrimidine-2,4-dione Traditional Name: 1-(2-hydroxy-3-phenoxy-propyl)-5-nitro-pyrimidine-2,4-quinone Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CN2C=C(C(=O)NC2=O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CN2C=C(C(=O)NC2=O)[N+](=O)[O-])O

InChI

InChI=1S/C13H13N3O6/c17-9(8-22-10-4-2-1-3-5-10)6-15-7-11(16(20)21)12(18)14-13(15)19/h1-5,7,9,17H,6,8H2,(H,14,18,19)