4-chloranyl-3-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H12ClN3O6S MolecularWeight: 409.80098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O6S/c17-12-6-1-9(15(22)23)7-13(12)18-16(27)19-14(21)8-26-11-4-2-10(3-5-11)20(24)25/h1-7H,8H2,(H,22,23)(H2,18,19,21,27)