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

Systemtic Name: 4-[4-methoxy-3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]oxane Openeye Name: 4-[4-methoxy-3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]tetrahydropyran CAS Name: 4-[4-methoxy-3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]oxane IUPAC Name: 4-[4-methoxy-3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]oxane Traditional Name: 4-[4-methoxy-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=C(C=C(C=C1OCC#CC2=CC=CC=C2)C3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1OCC#CC2=CC=CC=C2)C3CCOCC3)[N+](=O)[O-]

InChI

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