2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-5-(trifluoromethyl)-3H-isoindol-1-one

Systemtic Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-5-(trifluoromethyl)-3H-isoindol-1-one Openeye Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-5-(trifluoromethyl)isoindolin-1-one CAS Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-5-(trifluoromethyl)-3H-isoindol-1-one IUPAC Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-5-(trifluoromethyl)-3H-isoindol-1-one Traditional Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-5-(trifluoromethyl)isoindolin-1-one Formula: C17H21F3N2O5 MolecularWeight: 390.35425

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(C2=C(C1=O)C=CC(=C2)C(F)(F)F)C(C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CN1C(C2=C(C1=O)C=CC(=C2)C(F)(F)F)C(C)[N+](=O)[O-])OCC

InChI

InChI=1S/C17H21F3N2O5/c1-4-26-14(27-5-2)9-21-15(10(3)22(24)25)13-8-11(17(18,19)20)6-7-12(13)16(21)23/h6-8,10,14-15H,4-5,9H2,1-3H3