[4-(4-cyano-2-nitro-phenyl)phenyl] sulfamate

Systemtic Name: [4-(4-cyano-2-nitro-phenyl)phenyl] sulfamate Openeye Name: [4-(4-cyano-2-nitro-phenyl)phenyl] sulfamate CAS Name: sulfamic acid [4-(4-cyano-2-nitrophenyl)phenyl] ester IUPAC Name: [4-(4-cyano-2-nitrophenyl)phenyl] sulfamate Traditional Name: sulfamic acid [4-(4-cyano-2-nitro-phenyl)phenyl] ester Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])OS(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])OS(=O)(=O)N

InChI

InChI=1S/C13H9N3O5S/c14-8-9-1-6-12(13(7-9)16(17)18)10-2-4-11(5-3-10)21-22(15,19)20/h1-7H,(H2,15,19,20)