methyl 4-[(E)-3-[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(4-acetamido-2-fluorophenyl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(4-acetamido-2-fluorophenyl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H18FNO6 MolecularWeight: 399.369123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)C(=O)OC)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)F

InChI

InChI=1S/C21H18FNO6/c1-13(24)23-16-8-9-17(18(22)11-16)19(25)12-29-20(26)10-5-14-3-6-15(7-4-14)21(27)28-2/h3-11H,12H2,1-2H3,(H,23,24)/b10-5+