1-[4-[5-(4-nitrophenoxy)pentoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[5-(4-nitrophenoxy)pentoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[5-(4-nitrophenoxy)pentoxy]-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[5-(4-nitrophenoxy)pentoxy]-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[5-(4-nitrophenoxy)pentoxy]-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[5-(4-nitrophenoxy)pentoxy]-3-propyl-phenyl]ethanone Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO6/c1-3-7-20-21(13-12-19(16(2)24)22(20)25)29-15-6-4-5-14-28-18-10-8-17(9-11-18)23(26)27/h8-13,25H,3-7,14-15H2,1-2H3