[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H18BrFN2O4 MolecularWeight: 485.302423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C23H18BrFN2O4/c1-14-5-4-6-15(11-14)22(29)27-19-8-3-2-7-17(19)23(30)31-13-21(28)26-20-10-9-16(24)12-18(20)25/h2-12H,13H2,1H3,(H,26,28)(H,27,29)