cyanomethyl 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate

Systemtic Name: cyanomethyl 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: cyanomethyl 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate CAS Name: 3-[3-oxo-4-(phenylmethyl)-7-(trifluoromethyl)-2-quinoxalinyl]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Traditional Name: 3-[4-benzyl-3-keto-7-(trifluoromethyl)quinoxalin-2-yl]propionic acid cyanomethyl ester Formula: C21H16F3N3O3 MolecularWeight: 415.36525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=O)CCC(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=O)CCC(=O)OCC#N

InChI

InChI=1S/C21H16F3N3O3/c22-21(23,24)15-6-8-18-17(12-15)26-16(7-9-19(28)30-11-10-25)20(29)27(18)13-14-4-2-1-3-5-14/h1-6,8,12H,7,9,11,13H2