2-[1-(4-cyano-3-nitro-phenoxy)-2-oxidanyl-propan-2-yl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile

Systemtic Name: 2-[1-(4-cyano-3-nitro-phenoxy)-2-oxidanyl-propan-2-yl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile Openeye Name: 2-[2-(4-cyano-3-nitro-phenoxy)-1-hydroxy-1-methyl-ethyl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile CAS Name: 2-[1-(4-cyano-3-nitrophenoxy)-2-hydroxypropan-2-yl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile IUPAC Name: 2-[1-(4-cyano-3-nitrophenoxy)-2-hydroxypropan-2-yl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile Traditional Name: 2-[2-(4-cyano-3-nitro-phenoxy)-1-hydroxy-1-methyl-ethyl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile Formula: C21H15F3N4O4 MolecularWeight: 444.36341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C(=C2)C(F)(F)F)C#N)C(C)(COC3=CC(=C(C=C3)C#N)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(NC2=C1C=C(C(=C2)C(F)(F)F)C#N)C(C)(COC3=CC(=C(C=C3)C#N)[N+](=O)[O-])O

InChI

InChI=1S/C21H15F3N4O4/c1-11-15-5-13(9-26)16(21(22,23)24)7-17(15)27-19(11)20(2,29)10-32-14-4-3-12(8-25)18(6-14)28(30)31/h3-7,27,29H,10H2,1-2H3