5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-nitro-2-thienyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(5-nitro-2-thienyl)methylene]barbituric acid Formula: C9H5N3O5S MolecularWeight: 267.2181

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=C(SC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C9H5N3O5S/c13-7-5(8(14)11-9(15)10-7)3-4-1-2-6(18-4)12(16)17/h1-3H,(H2,10,11,13,14,15)