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

Systemtic Name: methyl 2-[[(3E)-3-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylhydrazinylidene]butanoyl]amino]benzoate Openeye Name: methyl 2-[[(3E)-3-[[2-(2-bromo-4-methyl-phenoxy)acetyl]hydrazono]butanoyl]amino]benzoate CAS Name: 2-[[(3E)-3-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazinylidene]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3E)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]butanoyl]amino]benzoate Traditional Name: 2-[[(3E)-3-[[2-(2-bromo-4-methyl-phenoxy)acetyl]hydrazono]butanoyl]amino]benzoic acid methyl ester Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N/N=C(\C)/CC(=O)NC2=CC=CC=C2C(=O)OC)Br

InChI

InChI=1S/C21H22BrN3O5/c1-13-8-9-18(16(22)10-13)30-12-20(27)25-24-14(2)11-19(26)23-17-7-5-4-6-15(17)21(28)29-3/h4-10H,11-12H2,1-3H3,(H,23,26)(H,25,27)/b24-14+