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

Systemtic Name: 1-[4-[5-(3-nitrophenoxy)pentoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[5-(3-nitrophenoxy)pentoxy]-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[5-(3-nitrophenoxy)pentoxy]-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[5-(3-nitrophenoxy)pentoxy]-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[5-(3-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=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-3-8-20-21(12-11-19(16(2)24)22(20)25)29-14-6-4-5-13-28-18-10-7-9-17(15-18)23(26)27/h7,9-12,15,25H,3-6,8,13-14H2,1-2H3