2,2,2-tris(fluoranyl)ethyl 2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-propanoate Openeye Name: 2,2,2-trifluoroethyl 2-cyano-3-(4-methylanilino)-3-oxo-propanoate CAS Name: 2-cyano-3-(4-methylanilino)-3-oxopropanoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-cyano-3-(4-methylanilino)-3-oxopropanoate Traditional Name: 2-cyano-3-keto-3-(p-toluidino)propionic acid 2,2,2-trifluoroethyl ester Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C#N)C(=O)OCC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C#N)C(=O)OCC(F)(F)F

InChI

InChI=1S/C13H11F3N2O3/c1-8-2-4-9(5-3-8)18-11(19)10(6-17)12(20)21-7-13(14,15)16/h2-5,10H,7H2,1H3,(H,18,19)