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

Systemtic Name: 6-[(E)-2-(3-ethoxy-5-iodanyl-4-phenylmethoxy-phenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(4-benzyloxy-3-ethoxy-5-iodo-phenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(4-benzoxy-3-ethoxy-5-iodo-phenyl)vinyl]-5-nitro-uracil Formula: C21H18IN3O6 MolecularWeight: 535.28859

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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-])I)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])I)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18IN3O6/c1-2-30-17-11-14(8-9-16-18(25(28)29)20(26)24-21(27)23-16)10-15(22)19(17)31-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,23,24,26,27)/b9-8+