2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-nitro-phenolate

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-nitro-phenolate Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-nitro-phenolate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-nitrophenolate Traditional Name: 4-nitro-2-(piperonylthiocarbamoylamino)phenolate Formula: C15H12N3O5S- MolecularWeight: 346.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H13N3O5S/c19-12-3-2-10(18(20)21)6-11(12)17-15(24)16-7-9-1-4-13-14(5-9)23-8-22-13/h1-6,19H,7-8H2,(H2,16,17,24)/p-1