[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H15BrFNO3 MolecularWeight: 392.219003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H15BrFNO3/c19-15-7-8-16(20)14(10-15)6-9-18(23)24-12-17(22)21-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,22)/b9-6+