2-[[(E)-3-(3-bromophenyl)but-2-enoyl]amino]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(3-bromophenyl)but-2-enoyl]amino]-5-fluoranyl-benzoic acid Openeye Name: 2-[[(E)-3-(3-bromophenyl)but-2-enoyl]amino]-5-fluoro-benzoic acid CAS Name: 2-[[(E)-3-(3-bromophenyl)-1-oxobut-2-enyl]amino]-5-fluorobenzoic acid IUPAC Name: 2-[[(E)-3-(3-bromophenyl)but-2-enoyl]amino]-5-fluorobenzoic acid Traditional Name: 2-[[(E)-3-(3-bromophenyl)but-2-enoyl]amino]-5-fluoro-benzoic acid Formula: C17H13BrFNO3 MolecularWeight: 378.192423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)F)C(=O)O)C2=CC(=CC=C2)Br

Isomeric SMILES

C/C(=C\C(=O)NC1=C(C=C(C=C1)F)C(=O)O)/C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H13BrFNO3/c1-10(11-3-2-4-12(18)8-11)7-16(21)20-15-6-5-13(19)9-14(15)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/b10-7+