2-[[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylhydrazinylidene]methyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylhydrazinylidene]methyl]-4,6-dinitro-phenolate Openeye Name: 2-[[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]hydrazono]methyl]-4,6-dinitro-phenolate CAS Name: 2-[[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-4,6-dinitrophenolate IUPAC Name: 2-[[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate Traditional Name: 2-[[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]hydrazono]methyl]-4,6-dinitro-phenolate Formula: C17H14BrN4O7- MolecularWeight: 466.21966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])[N+](=O)[O-])C)Br

InChI

InChI=1S/C17H15BrN4O7/c1-9-3-12(18)4-10(2)17(9)29-8-15(23)20-19-7-11-5-13(21(25)26)6-14(16(11)24)22(27)28/h3-7,24H,8H2,1-2H3,(H,20,23)/p-1