(5E)-3-methyl-2-methylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-methyl-2-methylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one Openeye Name: (5E)-3-methyl-2-methylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazolidin-4-one CAS Name: (5E)-3-methyl-2-methylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-thiazolidinone IUPAC Name: (5E)-3-methyl-2-methylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one Traditional Name: (5E)-3-methyl-2-methylimino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazolidin-4-one Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)S1)C

Isomeric SMILES

CN=C1N(C(=O)/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/S1)C

InChI

InChI=1S/C13H11N3O5S/c1-14-13-15(2)12(17)11(22-13)4-7-3-9-10(21-6-20-9)5-8(7)16(18)19/h3-5H,6H2,1-2H3/b11-4+,14-13?