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

Systemtic Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-propyl-3H-isoindol-1-one Openeye Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-propyl-isoindolin-1-one CAS Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-propyl-3H-isoindol-1-one IUPAC Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-propyl-3H-isoindol-1-one Traditional Name: 2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-6-propyl-isoindolin-1-one Formula: C19H28N2O5 MolecularWeight: 364.43602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C(N(C2=O)CC(OCC)OCC)C(C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC2=C(C=C1)C(N(C2=O)CC(OCC)OCC)C(C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N2O5/c1-5-8-14-9-10-15-16(11-14)19(22)20(18(15)13(4)21(23)24)12-17(25-6-2)26-7-3/h9-11,13,17-18H,5-8,12H2,1-4H3