methyl 3-[2,2,2-tris(bromanyl)-1-[(4-methylphenyl)carbonylamino]ethoxy]benzoate

Systemtic Name: methyl 3-[2,2,2-tris(bromanyl)-1-[(4-methylphenyl)carbonylamino]ethoxy]benzoate Openeye Name: methyl 3-[2,2,2-tribromo-1-[(4-methylbenzoyl)amino]ethoxy]benzoate CAS Name: 3-[2,2,2-tribromo-1-[[(4-methylphenyl)-oxomethyl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2,2,2-tribromo-1-[(4-methylbenzoyl)amino]ethoxy]benzoate Traditional Name: 3-[2,2,2-tribromo-1-(p-toluoylamino)ethoxy]benzoic acid methyl ester Formula: C18H16Br3NO4 MolecularWeight: 550.03594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(Br)(Br)Br)OC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(Br)(Br)Br)OC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C18H16Br3NO4/c1-11-6-8-12(9-7-11)15(23)22-17(18(19,20)21)26-14-5-3-4-13(10-14)16(24)25-2/h3-10,17H,1-2H3,(H,22,23)