2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-6-nitro-phenolate

Systemtic Name: 2-[(E)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-4-bromanyl-6-nitro-phenolate Openeye Name: 2-[(E)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-4-bromo-6-nitro-phenolate CAS Name: 2-[(E)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-4-bromo-6-nitrophenolate IUPAC Name: 2-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4-bromo-6-nitrophenolate Traditional Name: 4-bromo-2-nitro-6-[(E)-(piperonyloylhydrazono)methyl]phenolate Formula: C15H9BrN3O6- MolecularWeight: 407.15246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrN3O6/c16-10-3-9(14(20)11(5-10)19(22)23)6-17-18-15(21)8-1-2-12-13(4-8)25-7-24-12/h1-6,20H,7H2,(H,18,21)/p-1/b17-6+