2,2-dimethyl-5-[methylsulfanyl-[(4-nitrophenyl)amino]methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[methylsulfanyl-[(4-nitrophenyl)amino]methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[methylsulfanyl-(4-nitroanilino)methylene]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[(methylthio)-(4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[methylsulfanyl-(4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[(methylthio)-(4-nitroanilino)methylene]-1,3-dioxane-4,6-quinone Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(NC2=CC=C(C=C2)[N+](=O)[O-])SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(NC2=CC=C(C=C2)[N+](=O)[O-])SC)C(=O)O1)C

InChI

InChI=1S/C14H14N2O6S/c1-14(2)21-12(17)10(13(18)22-14)11(23-3)15-8-4-6-9(7-5-8)16(19)20/h4-7,15H,1-3H3