2-morpholin-4-yl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-morpholin-4-yl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-morpholino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazol-4-one CAS Name: 2-(4-morpholinyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-thiazolone IUPAC Name: 2-morpholin-4-yl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-morpholino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thiazolin-4-one Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)S2

Isomeric SMILES

C1COCCN1C2=NC(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)S2

InChI

InChI=1S/C15H13N3O6S/c19-14-13(25-15(16-14)17-1-3-22-4-2-17)6-9-5-11-12(24-8-23-11)7-10(9)18(20)21/h5-7H,1-4,8H2