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

Systemtic Name: 3-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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