[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O3/c1-24(2)18-8-6-14(7-9-18)10-15(12-22)20(26)27-13-19(25)23-17-5-3-4-16(21)11-17/h3-11H,13H2,1-2H3,(H,23,25)/b15-10+