3-[(2-cyano-4-nitro-phenyl)sulfamoyl]propanoic acid

Systemtic Name: 3-[(2-cyano-4-nitro-phenyl)sulfamoyl]propanoic acid Openeye Name: 3-[(2-cyano-4-nitro-phenyl)sulfamoyl]propanoic acid CAS Name: 3-[(2-cyano-4-nitrophenyl)sulfamoyl]propanoic acid IUPAC Name: 3-[(2-cyano-4-nitrophenyl)sulfamoyl]propanoic acid Traditional Name: 3-[(2-cyano-4-nitro-phenyl)sulfamoyl]propionic acid Formula: C10H9N3O6S MolecularWeight: 299.25996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C10H9N3O6S/c11-6-7-5-8(13(16)17)1-2-9(7)12-20(18,19)4-3-10(14)15/h1-2,5,12H,3-4H2,(H,14,15)