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

Systemtic Name: 4-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-3-methyl-benzoic acid Formula: C17H13BrFNO3 MolecularWeight: 378.192423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H13BrFNO3/c1-10-8-12(17(22)23)2-6-15(10)20-16(21)7-3-11-9-13(18)4-5-14(11)19/h2-9H,1H3,(H,20,21)(H,22,23)/b7-3+