2-nitro-4-(oxan-4-yl)-6-(3-phenylprop-2-ynoxy)phenol

Systemtic Name: 2-nitro-4-(oxan-4-yl)-6-(3-phenylprop-2-ynoxy)phenol Openeye Name: 2-nitro-6-(3-phenylprop-2-ynoxy)-4-tetrahydropyran-4-yl-phenol CAS Name: 2-nitro-4-(4-oxanyl)-6-(3-phenylprop-2-ynoxy)phenol IUPAC Name: 2-nitro-4-(oxan-4-yl)-6-(3-phenylprop-2-ynoxy)phenol Traditional Name: 2-nitro-6-(3-phenylprop-2-ynoxy)-4-tetrahydropyran-4-yl-phenol Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC(=C(C(=C2)OCC#CC3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCC1C2=CC(=C(C(=C2)OCC#CC3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO5/c22-20-18(21(23)24)13-17(16-8-11-25-12-9-16)14-19(20)26-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,13-14,16,22H,8-12H2