4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazono)methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-2-nitrophenolate Traditional Name: 2-nitro-4-[(Z)-(piperonylthiocarbamoylhydrazono)methyl]phenolate Formula: C16H13N4O5S- MolecularWeight: 373.36322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c21-13-3-1-10(5-12(13)20(22)23)8-18-19-16(26)17-7-11-2-4-14-15(6-11)25-9-24-14/h1-6,8,21H,7,9H2,(H2,17,19,26)/p-1/b18-8-