dimethyl 2-[(Z)-7-(4-nitrophenyl)hept-4-en-2,6-diynylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(Z)-7-(4-nitrophenyl)hept-4-en-2,6-diynylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(Z)-7-(4-nitrophenyl)hept-4-en-2,6-diynylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(Z)-7-(4-nitrophenyl)hept-4-en-2,6-diynylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(Z)-7-(4-nitrophenyl)hept-4-en-2,6-diynylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(Z)-7-(4-nitrophenyl)hept-4-en-2,6-diynylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C20H13NO6S2 MolecularWeight: 427.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13NO6S2/c1-26-19(22)17-18(20(23)27-2)29-16(28-17)9-7-5-3-4-6-8-14-10-12-15(13-11-14)21(24)25/h3-4,9-13H,1-2H3/b4-3-