2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-nitro-benzenecarbonitrile Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-nitro-benzonitrile CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-nitrobenzonitrile IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-nitrobenzonitrile Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-nitro-benzonitrile Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=CC(=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=CC(=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H22N2O6/c1-3-5-18-19(9-8-17(14(2)24)21(18)25)28-10-4-11-29-20-12-16(23(26)27)7-6-15(20)13-22/h6-9,12,25H,3-5,10-11H2,1-2H3