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

Systemtic Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-pentyl-3H-isoindol-1-one Openeye Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-pentyl-isoindolin-1-one CAS Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-pentyl-3H-isoindol-1-one IUPAC Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-pentyl-3H-isoindol-1-one Traditional Name: 6-amyl-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)isoindolin-1-one Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)C(N(C2=O)CC(OCC)OCC)C(C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)C(N(C2=O)CC(OCC)OCC)C(C)[N+](=O)[O-]

InChI

InChI=1S/C21H32N2O5/c1-5-8-9-10-16-11-12-17-18(13-16)21(24)22(20(17)15(4)23(25)26)14-19(27-6-2)28-7-3/h11-13,15,19-20H,5-10,14H2,1-4H3