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

Systemtic Name: methyl 3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-4-fluoro-benzoate CAS Name: 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-4-fluorobenzoate Traditional Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C17H16BrFN2O3 MolecularWeight: 395.222943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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