1-(4-butoxy-3-nitro-phenyl)sulfonyl-5-fluoranyl-pyrimidine-2,4-dione

Systemtic Name: 1-(4-butoxy-3-nitro-phenyl)sulfonyl-5-fluoranyl-pyrimidine-2,4-dione Openeye Name: 1-(4-butoxy-3-nitro-phenyl)sulfonyl-5-fluoro-pyrimidine-2,4-dione CAS Name: 1-(4-butoxy-3-nitrophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione IUPAC Name: 1-(4-butoxy-3-nitrophenyl)sulfonyl-5-fluoropyrimidine-2,4-dione Traditional Name: 1-(4-butoxy-3-nitro-phenyl)sulfonyl-5-fluoro-pyrimidine-2,4-quinone Formula: C14H14FN3O7S MolecularWeight: 387.340263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14FN3O7S/c1-2-3-6-25-12-5-4-9(7-11(12)18(21)22)26(23,24)17-8-10(15)13(19)16-14(17)20/h4-5,7-8H,2-3,6H2,1H3,(H,16,19,20)