2-[(carbamothioylamino)carbamoyl]-6-nitro-benzoate

Systemtic Name: 2-[(carbamothioylamino)carbamoyl]-6-nitro-benzoate Openeye Name: 2-[(carbamothioylamino)carbamoyl]-6-nitro-benzoate CAS Name: 2-[(carbamothioylhydrazo)-oxomethyl]-6-nitrobenzoate IUPAC Name: 2-[(carbamothioylamino)carbamoyl]-6-nitrobenzoate Traditional Name: 2-nitro-6-(thioureidocarbamoyl)benzoate Formula: C9H7N4O5S- MolecularWeight: 283.24068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)[O-])C(=O)NNC(=S)N

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)[O-])C(=O)NNC(=S)N

InChI

InChI=1S/C9H8N4O5S/c10-9(19)12-11-7(14)4-2-1-3-5(13(17)18)6(4)8(15)16/h1-3H,(H,11,14)(H,15,16)(H3,10,12,19)/p-1