1-(4-nitro-5-octyl-1,2-oxazol-3-yl)nonan-1-one

Systemtic Name: 1-(4-nitro-5-octyl-1,2-oxazol-3-yl)nonan-1-one Openeye Name: 1-(4-nitro-5-octyl-isoxazol-3-yl)nonan-1-one CAS Name: 1-(4-nitro-5-octyl-3-isoxazolyl)-1-nonanone IUPAC Name: 1-(4-nitro-5-octyl-1,2-oxazol-3-yl)nonan-1-one Traditional Name: 1-(4-nitro-5-octyl-isoxazol-3-yl)nonan-1-one Formula: C20H34N2O4 MolecularWeight: 366.49496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=NO1)C(=O)CCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(C(=NO1)C(=O)CCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C20H34N2O4/c1-3-5-7-9-11-13-15-17(23)19-20(22(24)25)18(26-21-19)16-14-12-10-8-6-4-2/h3-16H2,1-2H3