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

Systemtic Name: 6-butoxy-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one Openeye Name: 6-butoxy-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)isoindolin-1-one CAS Name: 6-butoxy-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one IUPAC Name: 6-butoxy-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one Traditional Name: 6-butoxy-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)isoindolin-1-one Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(N(C2=O)CC(OCC)OCC)C(C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(N(C2=O)CC(OCC)OCC)C(C)[N+](=O)[O-]

InChI

InChI=1S/C20H30N2O6/c1-5-8-11-28-15-9-10-16-17(12-15)20(23)21(19(16)14(4)22(24)25)13-18(26-6-2)27-7-3/h9-10,12,14,18-19H,5-8,11,13H2,1-4H3