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

Systemtic Name: (5Z)-1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-1-tert-butyl-5-[(5-nitro-2-thienyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-1-tert-butyl-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-1-tert-butyl-5-[(5-nitro-2-thienyl)methylene]barbituric acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)NC1=O

Isomeric SMILES

CC(C)(C)N1C(=O)/C(=C\C2=CC=C(S2)[N+](=O)[O-])/C(=O)NC1=O

InChI

InChI=1S/C13H13N3O5S/c1-13(2,3)15-11(18)8(10(17)14-12(15)19)6-7-4-5-9(22-7)16(20)21/h4-6H,1-3H3,(H,14,17,19)/b8-6-