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

Systemtic Name: 4-chloranyl-3-[2-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[4-[(4-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=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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