2-[3-(3-nitro-4-phenylmethoxy-phenyl)prop-2-ynoxy]oxane

Systemtic Name: 2-[3-(3-nitro-4-phenylmethoxy-phenyl)prop-2-ynoxy]oxane Openeye Name: 2-[3-(4-benzyloxy-3-nitro-phenyl)prop-2-ynoxy]tetrahydropyran CAS Name: 2-[3-(3-nitro-4-phenylmethoxyphenyl)prop-2-ynoxy]oxane IUPAC Name: 2-[3-(3-nitro-4-phenylmethoxyphenyl)prop-2-ynoxy]oxane Traditional Name: 2-[3-(4-benzoxy-3-nitro-phenyl)prop-2-ynoxy]tetrahydropyran Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC#CC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCOC(C1)OCC#CC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO5/c23-22(24)19-15-17(9-6-14-26-21-10-4-5-13-25-21)11-12-20(19)27-16-18-7-2-1-3-8-18/h1-3,7-8,11-12,15,21H,4-5,10,13-14,16H2