[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H19BrFNO3 MolecularWeight: 420.272163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F)C

InChI

InChI=1S/C20H19BrFNO3/c1-3-14-6-4-5-13(2)20(14)23-18(24)12-26-19(25)10-7-15-11-16(21)8-9-17(15)22/h4-11H,3,12H2,1-2H3,(H,23,24)/b10-7+