N-(4-acetamidophenyl)-3-[2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]hydrazinyl]but-3-enamide

Systemtic Name: N-(4-acetamidophenyl)-3-[2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]hydrazinyl]but-3-enamide Openeye Name: N-(4-acetamidophenyl)-3-[2-[2-(2-bromo-4-methyl-phenoxy)acetyl]hydrazino]but-3-enamide CAS Name: N-(4-acetamidophenyl)-3-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-3-butenamide IUPAC Name: N-(4-acetamidophenyl)-3-[2-[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinyl]but-3-enamide Traditional Name: N-(4-acetamidophenyl)-3-[N'-[2-(2-bromo-4-methyl-phenoxy)acetyl]hydrazino]but-3-enamide Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NNC(=C)CC(=O)NC2=CC=C(C=C2)NC(=O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NNC(=C)CC(=O)NC2=CC=C(C=C2)NC(=O)C)Br

InChI

InChI=1S/C21H23BrN4O4/c1-13-4-9-19(18(22)10-13)30-12-21(29)26-25-14(2)11-20(28)24-17-7-5-16(6-8-17)23-15(3)27/h4-10,25H,2,11-12H2,1,3H3,(H,23,27)(H,24,28)(H,26,29)