methyl 5-[[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C17H16BrFN2O3 MolecularWeight: 395.222943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CNC2=CC(=C(C=C2)F)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CNC2=CC(=C(C=C2)F)C(=O)OC)Br

InChI

InChI=1S/C17H16BrFN2O3/c1-10-3-6-15(13(18)7-10)21-16(22)9-20-11-4-5-14(19)12(8-11)17(23)24-2/h3-8,20H,9H2,1-2H3,(H,21,22)