2-[(E)-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylhydrazinylidene)methyl]-6-nitro-phenolate

Systemtic Name: 2-[(E)-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylhydrazinylidene)methyl]-6-nitro-phenolate Openeye Name: 2-[(E)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazono)methyl]-6-nitro-phenolate CAS Name: 2-[(E)-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-[(E)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]-6-nitrophenolate Traditional Name: 2-[(E)-(2,3-dihydro-1,4-benzodioxin-6-carbonylhydrazono)methyl]-6-nitro-phenolate Formula: C16H12N3O6- MolecularWeight: 342.28298

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)N/N=C/C3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H13N3O6/c20-15-11(2-1-3-12(15)19(22)23)9-17-18-16(21)10-4-5-13-14(8-10)25-7-6-24-13/h1-5,8-9,20H,6-7H2,(H,18,21)/p-1/b17-9+