7-[2-(4-chloranyl-2-nitro-phenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-chloranyl-2-nitro-phenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-chloro-2-nitro-phenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-chloro-2-nitrophenoxy)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-chloro-2-nitrophenoxy)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-chloro-2-nitro-phenoxy)ethyl]-1,3-dimethyl-xanthine Formula: C15H14ClN5O5 MolecularWeight: 379.75516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN5O5/c1-18-13-12(14(22)19(2)15(18)23)20(8-17-13)5-6-26-11-4-3-9(16)7-10(11)21(24)25/h3-4,7-8H,5-6H2,1-2H3