[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H23BrFNO6 MolecularWeight: 484.312823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C21H23BrFNO6/c1-4-27-17-9-13(10-18(28-5-2)20(17)29-6-3)21(26)30-12-19(25)24-16-8-7-14(22)11-15(16)23/h7-11H,4-6,12H2,1-3H3,(H,24,25)