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

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-4-nitro-phenolate Openeye Name: 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4-nitro-phenolate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4-nitrophenolate Traditional Name: 4-nitro-2-(piperonyloylthiocarbamoylamino)phenolate Formula: C15H10N3O6S- MolecularWeight: 360.3214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O6S/c19-11-3-2-9(18(21)22)6-10(11)16-15(25)17-14(20)8-1-4-12-13(5-8)24-7-23-12/h1-6,19H,7H2,(H2,16,17,20,25)/p-1