(1Z)-1-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]-1,3-diazinan-1-ium-2,4,6-trione

Systemtic Name: (1Z)-1-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]-1,3-diazinan-1-ium-2,4,6-trione Openeye Name: (1Z)-1-[(3,4-dihydroxy-5-nitro-phenyl)methylene]hexahydropyrimidin-1-ium-2,4,6-trione CAS Name: (1Z)-1-[(3,4-dihydroxy-5-nitrophenyl)methylidene]-1,3-diazinan-1-ium-2,4,6-trione IUPAC Name: (1Z)-1-[(3,4-dihydroxy-5-nitrophenyl)methylidene]-1,3-diazinan-1-ium-2,4,6-trione Traditional Name: (1Z)-1-(3,4-dihydroxy-5-nitro-benzylidene)hexahydropyrimidin-1-ium-2,4,6-trione Formula: C11H8N3O7+ MolecularWeight: 294.19712

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)[N+](=CC2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C1=O

Isomeric SMILES

C1C(=O)NC(=O)/[N+](=C\C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])/C1=O

InChI

InChI=1S/C11H7N3O7/c15-7-2-5(1-6(10(7)18)14(20)21)4-13-9(17)3-8(16)12-11(13)19/h1-2,4H,3H2,(H2,12,15,16,19)/p+1