4-methoxy-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]oxane

Systemtic Name: 4-methoxy-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]oxane Openeye Name: 4-methoxy-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]tetrahydropyran CAS Name: 4-methoxy-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]oxane IUPAC Name: 4-methoxy-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]oxane Traditional Name: 4-methoxy-4-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]tetrahydropyran Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC(=C2)OCC#CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC(=C2)OCC#CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO5/c1-25-21(9-12-26-13-10-21)18-14-19(22(23)24)16-20(15-18)27-11-5-8-17-6-3-2-4-7-17/h2-4,6-7,14-16H,9-13H2,1H3