ethyl 4-[[(3E)-3-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylhydrazinylidene]butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(3E)-3-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylhydrazinylidene]butanoyl]amino]benzoate Openeye Name: ethyl 4-[[(3E)-3-[[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazono]butanoyl]amino]benzoate CAS Name: 4-[[(3E)-3-[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazinylidene]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3E)-3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]butanoyl]amino]benzoate Traditional Name: 4-[[(3E)-3-[[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazono]butanoyl]amino]benzoic acid ethyl ester Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC(=NNC(=O)COC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C/C(=N/NC(=O)COC2=C(C=C(C=C2)Br)C)/C

InChI

InChI=1S/C22H24BrN3O5/c1-4-30-22(29)16-5-8-18(9-6-16)24-20(27)12-15(3)25-26-21(28)13-31-19-10-7-17(23)11-14(19)2/h5-11H,4,12-13H2,1-3H3,(H,24,27)(H,26,28)/b25-15+