2-[(3-azanyl-5-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[(3-azanyl-5-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 2-[(3-amino-4-hydroxy-5-nitro-phenyl)sulfonylamino]benzoic acid CAS Name: 2-[(3-amino-4-hydroxy-5-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(3-amino-4-hydroxy-5-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(3-amino-4-hydroxy-5-nitro-phenyl)sulfonylamino]benzoic acid Formula: C13H11N3O7S MolecularWeight: 353.30734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O7S/c14-9-5-7(6-11(12(9)17)16(20)21)24(22,23)15-10-4-2-1-3-8(10)13(18)19/h1-6,15,17H,14H2,(H,18,19)