3-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-5,6-dinitro-1H-benzimidazol-2-one

Systemtic Name: 3-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-5,6-dinitro-1H-benzimidazol-2-one Openeye Name: 3-(3,5-dichloro-2-hydroxy-phenyl)-5,6-dinitro-1H-benzimidazol-2-one CAS Name: 3-(3,5-dichloro-2-hydroxyphenyl)-5,6-dinitro-1H-benzimidazol-2-one IUPAC Name: 3-(3,5-dichloro-2-hydroxyphenyl)-5,6-dinitro-1H-benzimidazol-2-one Traditional Name: 3-(3,5-dichloro-2-hydroxy-phenyl)-5,6-dinitro-1H-benzimidazol-2-one Formula: C13H6Cl2N4O6 MolecularWeight: 385.11594

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)O)N2C3=CC(=C(C=C3NC2=O)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)O)N2C3=CC(=C(C=C3NC2=O)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H6Cl2N4O6/c14-5-1-6(15)12(20)11(2-5)17-8-4-10(19(24)25)9(18(22)23)3-7(8)16-13(17)21/h1-4,20H,(H,16,21)