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

Systemtic Name: 4-[(E)-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: 4-[(E)-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 4-[(E)-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]hydrazono]methyl]benzoate Formula: C18H16BrN2O4- MolecularWeight: 404.23464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4/c1-11-7-12(2)17(15(19)8-11)25-10-16(22)21-20-9-13-3-5-14(6-4-13)18(23)24/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/p-1/b20-9+