4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)-4-nitro-pentanenitrile

Systemtic Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)-4-nitro-pentanenitrile Openeye Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)-4-nitro-pentanenitrile CAS Name: 4-[(1E)-1-cyclooctenyl]-5-(4-methoxyphenyl)-4-nitropentanenitrile IUPAC Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)-4-nitropentanenitrile Traditional Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)-4-nitro-valeronitrile Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CCC#N)(C2=CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(CCC#N)(/C/2=C/CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O3/c1-25-19-12-10-17(11-13-19)16-20(22(23)24,14-7-15-21)18-8-5-3-2-4-6-9-18/h8,10-13H,2-7,9,14,16H2,1H3/b18-8+