methyl 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-3-methyl-butyric acid methyl ester Formula: C15H17BrFNO3 MolecularWeight: 358.202783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrFNO3/c1-9(2)14(15(20)21-3)18-13(19)7-4-10-8-11(16)5-6-12(10)17/h4-9,14H,1-3H3,(H,18,19)/b7-4+