3-[(E)-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 3-[(E)-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 3-[(E)-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 3-[(E)-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 3-[(E)-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 3-[(E)-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]hydrazono]methyl]-4-nitro-phenolate Formula: C17H15BrN3O5- MolecularWeight: 421.2221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O5/c1-10-5-13(18)6-11(2)17(10)26-9-16(23)20-19-8-12-7-14(22)3-4-15(12)21(24)25/h3-8,22H,9H2,1-2H3,(H,20,23)/p-1/b19-8+