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

Systemtic Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one Openeye Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)isoindolin-1-one CAS Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one IUPAC Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one Traditional Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)isoindolin-1-one Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(C2=CC=CC=C2C1=O)C(C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CN1C(C2=CC=CC=C2C1=O)C(C)[N+](=O)[O-])OCC

InChI

InChI=1S/C16H22N2O5/c1-4-22-14(23-5-2)10-17-15(11(3)18(20)21)12-8-6-7-9-13(12)16(17)19/h6-9,11,14-15H,4-5,10H2,1-3H3