4-[6-(4-methoxy-2-nitro-phenoxy)hexyl]heptane-3,5-dione

Systemtic Name: 4-[6-(4-methoxy-2-nitro-phenoxy)hexyl]heptane-3,5-dione Openeye Name: 4-[6-(4-methoxy-2-nitro-phenoxy)hexyl]heptane-3,5-dione CAS Name: 4-[6-(4-methoxy-2-nitrophenoxy)hexyl]heptane-3,5-dione IUPAC Name: 4-[6-(4-methoxy-2-nitrophenoxy)hexyl]heptane-3,5-dione Traditional Name: 4-[6-(4-methoxy-2-nitro-phenoxy)hexyl]heptane-3,5-dione Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)OC)[N+](=O)[O-])C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)OC)[N+](=O)[O-])C(=O)CC

InChI

InChI=1S/C20H29NO6/c1-4-18(22)16(19(23)5-2)10-8-6-7-9-13-27-20-12-11-15(26-3)14-17(20)21(24)25/h11-12,14,16H,4-10,13H2,1-3H3