[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C21H18FNO9 MolecularWeight: 447.367323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C21H18FNO9/c1-11(24)30-17-8-14(9-18(31-12(2)25)20(17)32-13(3)26)21(28)29-10-19(27)23-16-6-4-15(22)5-7-16/h4-9H,10H2,1-3H3,(H,23,27)