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

Systemtic Name: 6-[(E)-2-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)vinyl]-5-nitro-uracil Formula: C17H14BrN3O6 MolecularWeight: 436.21356

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O6/c1-3-7-27-15-11(18)8-10(9-13(15)26-4-2)5-6-12-14(21(24)25)16(22)20-17(23)19-12/h1,5-6,8-9H,4,7H2,2H3,(H2,19,20,22,23)/b6-5+