6-[(E)-2-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[(E)-2-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(3-bromo-5-ethoxy-4-hydroxy-phenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(3-bromo-5-ethoxy-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(3-bromo-5-ethoxy-4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(3-bromo-5-ethoxy-4-hydroxy-phenyl)vinyl]-5-nitro-uracil Formula: C14H12BrN3O6 MolecularWeight: 398.16558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)O

InChI

InChI=1S/C14H12BrN3O6/c1-2-24-10-6-7(5-8(15)12(10)19)3-4-9-11(18(22)23)13(20)17-14(21)16-9/h3-6,19H,2H2,1H3,(H2,16,17,20,21)/b4-3+