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

Systemtic Name: 2-(2,2-diethoxyethyl)-5-methoxy-3-(1-nitroethyl)-3H-isoindol-1-one Openeye Name: 2-(2,2-diethoxyethyl)-5-methoxy-3-(1-nitroethyl)isoindolin-1-one CAS Name: 2-(2,2-diethoxyethyl)-5-methoxy-3-(1-nitroethyl)-3H-isoindol-1-one IUPAC Name: 2-(2,2-diethoxyethyl)-5-methoxy-3-(1-nitroethyl)-3H-isoindol-1-one Traditional Name: 2-(2,2-diethoxyethyl)-5-methoxy-3-(1-nitroethyl)isoindolin-1-one Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6/c1-5-24-15(25-6-2)10-18-16(11(3)19(21)22)14-9-12(23-4)7-8-13(14)17(18)20/h7-9,11,15-16H,5-6,10H2,1-4H3