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

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H12BrFN2O3 MolecularWeight: 403.201883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrFN2O3/c19-14-6-7-16(15(20)9-14)22-17(23)11-25-18(24)8-5-12-1-3-13(10-21)4-2-12/h1-9H,11H2,(H,22,23)/b8-5+