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

Systemtic Name: methyl 3-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H15BrFNO3 MolecularWeight: 392.219003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrFNO3/c1-11-3-4-13(18(23)24-2)10-16(11)21-17(22)8-5-12-9-14(19)6-7-15(12)20/h3-10H,1-2H3,(H,21,22)/b8-5+