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

Systemtic Name: 2-chloranyl-5-[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[4-[(3-nitrobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C23H18ClN3O6S MolecularWeight: 499.92352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN3O6S/c1-13(21(28)26-16-7-10-20(24)19(12-16)23(30)31)34-18-8-5-15(6-9-18)25-22(29)14-3-2-4-17(11-14)27(32)33/h2-13H,1H3,(H,25,29)(H,26,28)(H,30,31)