(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H15BrFNO5 MolecularWeight: 460.249903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H15BrFNO5/c1-12(25)24-16-4-5-17-14(9-21(27)29-19(17)10-16)11-28-20(26)7-2-13-8-15(22)3-6-18(13)23/h2-10H,11H2,1H3,(H,24,25)/b7-2+