2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-6-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-6-nitro-benzenecarbonitrile Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-6-nitro-benzonitrile CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-6-nitrobenzonitrile IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-6-nitrobenzonitrile Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-6-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=CC=CC(=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=CC(=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-3-6-16-20(10-9-15(14(2)24)21(16)25)29-12-5-11-28-19-8-4-7-18(23(26)27)17(19)13-22/h4,7-10,25H,3,5-6,11-12H2,1-2H3