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

Systemtic Name: 6-[(E)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)vinyl]-5-nitro-uracil Formula: C13H10ClN3O6 MolecularWeight: 339.688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C13H10ClN3O6/c1-23-9-5-6(4-7(14)11(9)18)2-3-8-10(17(21)22)12(19)16-13(20)15-8/h2-5,18H,1H3,(H2,15,16,19,20)/b3-2+