2-[[4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoyl]amino]acetic acid Formula: C15H13N3O8S MolecularWeight: 395.34402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O8S/c19-13-6-5-11(7-12(13)18(23)24)27(25,26)17-10-3-1-9(2-4-10)15(22)16-8-14(20)21/h1-7,17,19H,8H2,(H,16,22)(H,20,21)