5-[2-[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[3-[(3-nitrobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C22H17N3O7S MolecularWeight: 467.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C22H17N3O7S/c26-19-8-7-15(11-18(19)22(29)30)23-20(27)12-33-17-6-2-4-14(10-17)24-21(28)13-3-1-5-16(9-13)25(31)32/h1-11,26H,12H2,(H,23,27)(H,24,28)(H,29,30)