1-butyl-3-[2-(3-fluorophenyl)ethyl]-5-nitro-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-butyl-3-[2-(3-fluorophenyl)ethyl]-5-nitro-1,3-diazinane-2,4,6-trione Openeye Name: 1-butyl-3-[2-(3-fluorophenyl)ethyl]-5-nitro-hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-3-[2-(3-fluorophenyl)ethyl]-5-nitro-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-3-[2-(3-fluorophenyl)ethyl]-5-nitro-1,3-diazinane-2,4,6-trione Traditional Name: 1-butyl-3-[2-(3-fluorophenyl)ethyl]-5-nitro-barbituric acid Formula: C16H18FN3O5 MolecularWeight: 351.329623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)N(C1=O)CCC2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C(C(=O)N(C1=O)CCC2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18FN3O5/c1-2-3-8-18-14(21)13(20(24)25)15(22)19(16(18)23)9-7-11-5-4-6-12(17)10-11/h4-6,10,13H,2-3,7-9H2,1H3