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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-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-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N)F

InChI

InChI=1S/C21H20FN3O3/c1-14-4-7-17(11-19(14)22)24-20(26)13-28-21(27)16(12-23)10-15-5-8-18(9-6-15)25(2)3/h4-11H,13H2,1-3H3,(H,24,26)/b16-10+