[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C17H15BrFNO5 MolecularWeight: 412.207103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H15BrFNO5/c1-23-13-7-10(8-14(24-2)16(13)18)17(22)25-9-15(21)20-12-5-3-11(19)4-6-12/h3-8H,9H2,1-2H3,(H,20,21)