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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C18H17BrFNO6 MolecularWeight: 442.233083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)Br)OC)OC

InChI

InChI=1S/C18H17BrFNO6/c1-24-13-8-12(15(19)17(26-3)16(13)25-2)18(23)27-9-14(22)21-11-6-4-10(20)5-7-11/h4-8H,9H2,1-3H3,(H,21,22)