[(Z)-[cyano(phenyl)methylidene]amino] 4-nitro-2-(trifluoromethyl)benzenesulfonate

Systemtic Name: [(Z)-[cyano(phenyl)methylidene]amino] 4-nitro-2-(trifluoromethyl)benzenesulfonate Openeye Name: [(Z)-[cyano(phenyl)methylene]amino] 4-nitro-2-(trifluoromethyl)benzenesulfonate CAS Name: 4-nitro-2-(trifluoromethyl)benzenesulfonic acid [(Z)-[cyano(phenyl)methylidene]amino] ester IUPAC Name: [(Z)-[cyano(phenyl)methylidene]amino] 4-nitro-2-(trifluoromethyl)benzenesulfonate Traditional Name: 4-nitro-2-(trifluoromethyl)benzenesulfonic acid [(Z)-[cyano(phenyl)methylene]amino] ester Formula: C15H8F3N3O5S MolecularWeight: 399.30133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NOS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H8F3N3O5S/c16-15(17,18)12-8-11(21(22)23)6-7-14(12)27(24,25)26-20-13(9-19)10-4-2-1-3-5-10/h1-8H/b20-13+