2-[[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfonylamino]pentanedioic acid Openeye Name: 2-[[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylamino]pentanedioic acid CAS Name: 2-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]pentanedioic acid IUPAC Name: 2-[[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylamino]pentanedioic acid Traditional Name: 2-[[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylamino]glutaric acid Formula: C18H17N3O9S MolecularWeight: 451.40728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O9S/c22-16(23)10-9-15(18(25)26)20-31(29,30)14-7-3-12(4-8-14)19-17(24)11-1-5-13(6-2-11)21(27)28/h1-8,15,20H,9-10H2,(H,19,24)(H,22,23)(H,25,26)