4-(5,5-diethyl-1,3-dioxan-2-yl)-2-methoxy-3-nitro-phenol

Systemtic Name: 4-(5,5-diethyl-1,3-dioxan-2-yl)-2-methoxy-3-nitro-phenol Openeye Name: 4-(5,5-diethyl-1,3-dioxan-2-yl)-2-methoxy-3-nitro-phenol CAS Name: 4-(5,5-diethyl-1,3-dioxan-2-yl)-2-methoxy-3-nitrophenol IUPAC Name: 4-(5,5-diethyl-1,3-dioxan-2-yl)-2-methoxy-3-nitrophenol Traditional Name: 4-(5,5-diethyl-1,3-dioxan-2-yl)-2-methoxy-3-nitro-phenol Formula: C15H21NO6 MolecularWeight: 311.33034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC(OC1)C2=C(C(=C(C=C2)O)OC)[N+](=O)[O-])CC

Isomeric SMILES

CCC1(COC(OC1)C2=C(C(=C(C=C2)O)OC)[N+](=O)[O-])CC

InChI

InChI=1S/C15H21NO6/c1-4-15(5-2)8-21-14(22-9-15)10-6-7-11(17)13(20-3)12(10)16(18)19/h6-7,14,17H,4-5,8-9H2,1-3H3