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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NN=CC2=C(C(=CC=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)N/N=C/C2=C(C(=CC=C2)[N+](=O)[O-])[O-])C

InChI

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