6-[3-nitro-4,5-bis(oxidanyl)phenyl]-1,3-diazabicyclo[2.1.1]hex-3-ene-2,5-dione

Systemtic Name: 6-[3-nitro-4,5-bis(oxidanyl)phenyl]-1,3-diazabicyclo[2.1.1]hex-3-ene-2,5-dione Openeye Name: 6-(3,4-dihydroxy-5-nitro-phenyl)-1,3-diazabicyclo[2.1.1]hex-3-ene-2,5-dione CAS Name: 6-(3,4-dihydroxy-5-nitrophenyl)-1,3-diazabicyclo[2.1.1]hex-3-ene-2,5-dione IUPAC Name: 6-(3,4-dihydroxy-5-nitrophenyl)-1,3-diazabicyclo[2.1.1]hex-3-ene-2,5-dione Traditional Name: 6-(3,4-dihydroxy-5-nitro-phenyl)-1,3-diazabicyclo[2.1.1]hex-3-ene-2,5-quinone Formula: C10H5N3O6 MolecularWeight: 263.1632

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C2C3=NC(=O)N2C3=O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C2C3=NC(=O)N2C3=O

InChI

InChI=1S/C10H5N3O6/c14-5-2-3(1-4(8(5)15)13(18)19)7-6-9(16)12(7)10(17)11-6/h1-2,7,14-15H