[4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] ester Formula: C17H11N3O6S MolecularWeight: 385.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C#N)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C#N)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O6S/c1-25-16-9-12(8-13(10-18)11-19)6-7-15(16)26-27(23,24)17-5-3-2-4-14(17)20(21)22/h2-9H,1H3