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

Systemtic Name: 5-[2-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[4-[(4-nitrobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C23H19N3O7S MolecularWeight: 481.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O7S/c1-13(21(28)25-16-6-11-20(27)19(12-16)23(30)31)34-18-9-4-15(5-10-18)24-22(29)14-2-7-17(8-3-14)26(32)33/h2-13,27H,1H3,(H,24,29)(H,25,28)(H,30,31)