[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H15BrFNO4 MolecularWeight: 396.207703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H15BrFNO4/c1-11(17(22)20-10-14-3-2-8-23-14)24-16(21)7-4-12-9-13(18)5-6-15(12)19/h2-9,11H,10H2,1H3,(H,20,22)/b7-4+