ethyl 4-[3-[2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoyl]hydrazinyl]but-3-enoylamino]benzoate

Systemtic Name: ethyl 4-[3-[2-[2-(4-bromanyl-3-methyl-phenoxy)ethanoyl]hydrazinyl]but-3-enoylamino]benzoate Openeye Name: ethyl 4-[3-[2-[2-(4-bromo-3-methyl-phenoxy)acetyl]hydrazino]but-3-enoylamino]benzoate CAS Name: 4-[[3-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-1-oxobut-3-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-[2-(4-bromo-3-methylphenoxy)acetyl]hydrazinyl]but-3-enoylamino]benzoate Traditional Name: 4-[3-[N'-[2-(4-bromo-3-methyl-phenoxy)acetyl]hydrazino]but-3-enoylamino]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(=C)NNC(=O)COC2=CC(=C(C=C2)Br)C

Isomeric SMILES

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

InChI

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