5-[(4-nitrophenyl)-oxidanyl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(4-nitrophenyl)-oxidanyl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[hydroxy-(4-nitrophenyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[hydroxy-(4-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[hydroxy-(4-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[hydroxy-(4-nitrophenyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H9N3O5S MolecularWeight: 295.27126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O5S/c15-8(5-1-3-6(4-2-5)14(18)19)7-9(16)12-11(20)13-10(7)17/h1-4,7-8,15H,(H2,12,13,16,17,20)