[3-(2-cyano-4-nitro-phenyl)phenyl] sulfamate

Systemtic Name: [3-(2-cyano-4-nitro-phenyl)phenyl] sulfamate Openeye Name: [3-(2-cyano-4-nitro-phenyl)phenyl] sulfamate CAS Name: sulfamic acid [3-(2-cyano-4-nitrophenyl)phenyl] ester IUPAC Name: [3-(2-cyano-4-nitrophenyl)phenyl] sulfamate Traditional Name: sulfamic acid [3-(2-cyano-4-nitro-phenyl)phenyl] ester Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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