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

Systemtic Name: methyl 2-[3-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]hydrazinyl]but-3-enoylamino]benzoate Openeye Name: methyl 2-[3-[2-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]but-3-enoylamino]benzoate CAS Name: 2-[[3-[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-1-oxobut-3-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]but-3-enoylamino]benzoate Traditional Name: 2-[3-[N'-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]but-3-enoylamino]benzoic acid methyl ester Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=C)CC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=C)CC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C21H22BrN3O5/c1-13-10-15(22)8-9-18(13)30-12-20(27)25-24-14(2)11-19(26)23-17-7-5-4-6-16(17)21(28)29-3/h4-10,24H,2,11-12H2,1,3H3,(H,23,26)(H,25,27)