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

Systemtic Name: 2-(2,2-diethoxyethyl)-3-(1-nitropropyl)-3H-isoindol-1-one Openeye Name: 2-(2,2-diethoxyethyl)-3-(1-nitropropyl)isoindolin-1-one CAS Name: 2-(2,2-diethoxyethyl)-3-(1-nitropropyl)-3H-isoindol-1-one IUPAC Name: 2-(2,2-diethoxyethyl)-3-(1-nitropropyl)-3H-isoindol-1-one Traditional Name: 2-(2,2-diethoxyethyl)-3-(1-nitropropyl)isoindolin-1-one Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2=CC=CC=C2C(=O)N1CC(OCC)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(C1C2=CC=CC=C2C(=O)N1CC(OCC)OCC)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O5/c1-4-14(19(21)22)16-12-9-7-8-10-13(12)17(20)18(16)11-15(23-5-2)24-6-3/h7-10,14-16H,4-6,11H2,1-3H3