3-methyl-2-[1-(3-nitrophenoxy)-2-oxidanyl-propan-2-yl]-6-(trifluoromethyl)-1H-indole-5-carbonitrile

Systemtic Name: 3-methyl-2-[1-(3-nitrophenoxy)-2-oxidanyl-propan-2-yl]-6-(trifluoromethyl)-1H-indole-5-carbonitrile Openeye Name: 2-[1-hydroxy-1-methyl-2-(3-nitrophenoxy)ethyl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile CAS Name: 2-[2-hydroxy-1-(3-nitrophenoxy)propan-2-yl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile IUPAC Name: 2-[2-hydroxy-1-(3-nitrophenoxy)propan-2-yl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile Traditional Name: 2-[1-hydroxy-1-methyl-2-(3-nitrophenoxy)ethyl]-3-methyl-6-(trifluoromethyl)-1H-indole-5-carbonitrile Formula: C20H16F3N3O4 MolecularWeight: 419.35395

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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=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N3O4/c1-11-15-6-12(9-24)16(20(21,22)23)8-17(15)25-18(11)19(2,27)10-30-14-5-3-4-13(7-14)26(28)29/h3-8,25,27H,10H2,1-2H3