methyl 3-[2-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H17BrFNO5 MolecularWeight: 450.255083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C20H17BrFNO5/c1-12-3-4-14(20(26)27-2)10-17(12)23-18(24)11-28-19(25)8-5-13-9-15(21)6-7-16(13)22/h3-10H,11H2,1-2H3,(H,23,24)/b8-5+