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

Systemtic Name: methyl 3-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-4-chloro-benzoate CAS Name: 3-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-4-chloro-benzoic acid methyl ester Formula: C17H12BrClFNO3 MolecularWeight: 412.637483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrClFNO3/c1-24-17(23)11-2-5-13(19)15(9-11)21-16(22)7-3-10-8-12(18)4-6-14(10)20/h2-9H,1H3,(H,21,22)/b7-3+