[4-(2,2-dicyanoethenyl)phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-nitrophenyl)sulfonyl-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-nosylnipecotic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

InChI

InChI=1S/C22H18N4O6S/c23-13-17(14-24)12-16-3-7-20(8-4-16)32-22(27)18-2-1-11-25(15-18)33(30,31)21-9-5-19(6-10-21)26(28)29/h3-10,12,18H,1-2,11,15H2