N-[(S)-cyano-(4-nitrophenyl)methyl]-2,2,2-tris(fluoranyl)-N-prop-2-enyl-ethanamide

Systemtic Name: N-[(S)-cyano-(4-nitrophenyl)methyl]-2,2,2-tris(fluoranyl)-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[(S)-cyano-(4-nitrophenyl)methyl]-2,2,2-trifluoro-acetamide CAS Name: N-[(S)-cyano-(4-nitrophenyl)methyl]-2,2,2-trifluoro-N-prop-2-enylacetamide IUPAC Name: N-[(S)-cyano-(4-nitrophenyl)methyl]-2,2,2-trifluoro-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[(S)-cyano-(4-nitrophenyl)methyl]-2,2,2-trifluoro-acetamide Formula: C13H10F3N3O3 MolecularWeight: 313.23201

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(C#N)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C(F)(F)F

Isomeric SMILES

C=CCN([C@H](C#N)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C(F)(F)F

InChI

InChI=1S/C13H10F3N3O3/c1-2-7-18(12(20)13(14,15)16)11(8-17)9-3-5-10(6-4-9)19(21)22/h2-6,11H,1,7H2/t11-/m1/s1