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

Systemtic Name: 2-[2-(2-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 2-[[[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 2-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H13N3O6S MolecularWeight: 375.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c20-14(9-25-13-8-4-3-7-12(13)19(23)24)18-16(26)17-11-6-2-1-5-10(11)15(21)22/h1-8H,9H2,(H,21,22)(H2,17,18,20,26)