4-[2-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-[(4-nitrobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6S/c26-20(23-16-5-1-15(2-6-16)22(28)29)13-32-19-11-7-17(8-12-19)24-21(27)14-3-9-18(10-4-14)25(30)31/h1-12H,13H2,(H,23,26)(H,24,27)(H,28,29)