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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=[N+]1C(=O)C(C(=O)NC1=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C=[N+]1C(=O)C(C(=O)NC1=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H7N3O7/c1-13-10(18)7(9(17)12-11(13)19)4-2-5(14(20)21)8(16)6(15)3-4/h2-3,7H,1H2,(H2-,12,15,16,17,19)/p+1