ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-bis(oxidanylidene)thiane-2-carboxylate

Systemtic Name: ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-bis(oxidanylidene)thiane-2-carboxylate Openeye Name: ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazono]-1,1-dioxo-thiane-2-carboxylate CAS Name: (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-dioxo-2-thianecarboxylic acid ethyl ester IUPAC Name: ethyl (3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-dioxothiane-2-carboxylate Traditional Name: (3E)-3-[(2,4-dinitrophenyl)hydrazono]-1,1-diketo-thiane-2-carboxylic acid ethyl ester Formula: C14H16N4O8S MolecularWeight: 400.36384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CCCS1(=O)=O

Isomeric SMILES

CCOC(=O)C1/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/CCCS1(=O)=O

InChI

InChI=1S/C14H16N4O8S/c1-2-26-14(19)13-11(4-3-7-27(13,24)25)16-15-10-6-5-9(17(20)21)8-12(10)18(22)23/h5-6,8,13,15H,2-4,7H2,1H3/b16-11+