2,2,4-trimethyl-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]-1,3-dioxolane

Systemtic Name: 2,2,4-trimethyl-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]-1,3-dioxolane Openeye Name: 2,2,4-trimethyl-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]-1,3-dioxolane CAS Name: 2,2,4-trimethyl-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]-1,3-dioxolane IUPAC Name: 2,2,4-trimethyl-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]-1,3-dioxolane Traditional Name: 2,2,4-trimethyl-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]-1,3-dioxolane Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)(C)C2=CC(=CC(=C2)OCC#CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(O1)(C)C2=CC(=CC(=C2)OCC#CC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21NO5/c1-20(2)26-15-21(3,27-20)17-12-18(22(23)24)14-19(13-17)25-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14H,11,15H2,1-3H3