4-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(2,4-dibromophenoxy)-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]methyl]benzoate Formula: C16H12Br2NO4- MolecularWeight: 442.07878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC2=C(C=C(C=C2)Br)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC2=C(C=C(C=C2)Br)Br)C(=O)[O-]

InChI

InChI=1S/C16H13Br2NO4/c17-12-5-6-14(13(18)7-12)23-9-15(20)19-8-10-1-3-11(4-2-10)16(21)22/h1-7H,8-9H2,(H,19,20)(H,21,22)/p-1