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

Systemtic Name: 4-[(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-nitro-phenolate Openeye Name: 4-[(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-nitro-phenolate CAS Name: 4-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-nitrophenolate Traditional Name: 2-nitro-4-[(piperonyloylhydrazono)methyl]phenolate Formula: C15H10N3O6- MolecularWeight: 328.2564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O6/c19-12-3-1-9(5-11(12)18(21)22)7-16-17-15(20)10-2-4-13-14(6-10)24-8-23-13/h1-7,19H,8H2,(H,17,20)/p-1