[(E)-[cyano(phenyl)methylidene]amino] 4-nitrobenzenesulfonate

Systemtic Name: [(E)-[cyano(phenyl)methylidene]amino] 4-nitrobenzenesulfonate Openeye Name: [(E)-[cyano(phenyl)methylene]amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(E)-[cyano(phenyl)methylidene]amino] ester IUPAC Name: [(E)-[cyano(phenyl)methylidene]amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(E)-[cyano(phenyl)methylene]amino] ester Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O5S/c15-10-14(11-4-2-1-3-5-11)16-22-23(20,21)13-8-6-12(7-9-13)17(18)19/h1-9H/b16-14-