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

Systemtic Name: 3-[[4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoyl]amino]propionic acid Formula: C16H15N3O8S MolecularWeight: 409.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O8S/c20-14-6-5-12(9-13(14)19(24)25)28(26,27)18-11-3-1-10(2-4-11)16(23)17-8-7-15(21)22/h1-6,9,18,20H,7-8H2,(H,17,23)(H,21,22)