2-chloranyl-5-[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[4-[(3-nitrobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C22H16ClN3O6S MolecularWeight: 485.89694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O6S/c23-19-9-6-15(11-18(19)22(29)30)24-20(27)12-33-17-7-4-14(5-8-17)25-21(28)13-2-1-3-16(10-13)26(31)32/h1-11H,12H2,(H,24,27)(H,25,28)(H,29,30)