5-(2-oxidanylidenepropyl)-1-[2,2,2-tris(fluoranyl)ethanoyl]indole-3-carbonitrile

Systemtic Name: 5-(2-oxidanylidenepropyl)-1-[2,2,2-tris(fluoranyl)ethanoyl]indole-3-carbonitrile Openeye Name: 5-acetonyl-1-(2,2,2-trifluoroacetyl)indole-3-carbonitrile CAS Name: 5-(2-oxopropyl)-1-(2,2,2-trifluoro-1-oxoethyl)-3-indolecarbonitrile IUPAC Name: 5-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)indole-3-carbonitrile Traditional Name: 5-acetonyl-1-(2,2,2-trifluoroacetyl)indole-3-carbonitrile Formula: C14H9F3N2O2 MolecularWeight: 294.22867

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC2=C(C=C1)N(C=C2C#N)C(=O)C(F)(F)F

Isomeric SMILES

CC(=O)CC1=CC2=C(C=C1)N(C=C2C#N)C(=O)C(F)(F)F

InChI

InChI=1S/C14H9F3N2O2/c1-8(20)4-9-2-3-12-11(5-9)10(6-18)7-19(12)13(21)14(15,16)17/h2-3,5,7H,4H2,1H3