[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H15BrFNO3 MolecularWeight: 392.219003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H15BrFNO3/c1-12-4-2-3-5-13(12)6-9-18(23)24-11-17(22)21-16-8-7-14(19)10-15(16)20/h2-10H,11H2,1H3,(H,21,22)/b9-6+