propan-2-yl 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: propan-2-yl 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isopropyl 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]benzoic acid isopropyl ester Formula: C19H17BrFNO3 MolecularWeight: 406.245583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrFNO3/c1-12(2)25-19(24)13-3-7-16(8-4-13)22-18(23)10-5-14-11-15(20)6-9-17(14)21/h3-12H,1-2H3,(H,22,23)/b10-5+