5-iodanyl-2-[2-(2-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 5-iodanyl-2-[2-(2-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 5-iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 5-iodo-2-[[[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 5-iodo-2-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H12IN3O6S MolecularWeight: 501.25245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C16H12IN3O6S/c17-9-5-6-11(10(7-9)15(22)23)18-16(27)19-14(21)8-26-13-4-2-1-3-12(13)20(24)25/h1-7H,8H2,(H,22,23)(H2,18,19,21,27)