dimethyl 2-[(2-nitrophenyl)methylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(2-nitrophenyl)methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(2-nitrophenyl)methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(2-nitrophenyl)methylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-nitrophenyl)methylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2-nitrobenzylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C14H11NO6S2 MolecularWeight: 353.37024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=CC2=CC=CC=C2[N+](=O)[O-])S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=CC2=CC=CC=C2[N+](=O)[O-])S1)C(=O)OC

InChI

InChI=1S/C14H11NO6S2/c1-20-13(16)11-12(14(17)21-2)23-10(22-11)7-8-5-3-4-6-9(8)15(18)19/h3-7H,1-2H3