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

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-propanoate Openeye Name: 2,2,2-trifluoroethyl 3-(4-bromoanilino)-2-cyano-3-oxo-propanoate CAS Name: 3-(4-bromoanilino)-2-cyano-3-oxopropanoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 3-(4-bromoanilino)-2-cyano-3-oxopropanoate Traditional Name: 3-(4-bromoanilino)-2-cyano-3-keto-propionic acid 2,2,2-trifluoroethyl ester Formula: C12H8BrF3N2O3 MolecularWeight: 365.10273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(C#N)C(=O)OCC(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(C#N)C(=O)OCC(F)(F)F)Br

InChI

InChI=1S/C12H8BrF3N2O3/c13-7-1-3-8(4-2-7)18-10(19)9(5-17)11(20)21-6-12(14,15)16/h1-4,9H,6H2,(H,18,19)