4-[(4-fluorophenyl)methyl]-1-[2-(2-methoxy-4-nitro-phenoxy)ethanoyl]piperidine-4-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[2-(2-methoxy-4-nitro-phenoxy)ethanoyl]piperidine-4-carbonitrile Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[2-(2-methoxy-4-nitro-phenoxy)acetyl]piperidine-4-carbonitrile CAS Name: 4-[(4-fluorophenyl)methyl]-1-[2-(2-methoxy-4-nitrophenoxy)-1-oxoethyl]-4-piperidinecarbonitrile IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-[2-(2-methoxy-4-nitrophenoxy)acetyl]piperidine-4-carbonitrile Traditional Name: 4-(4-fluorobenzyl)-1-[2-(2-methoxy-4-nitro-phenoxy)acetyl]isonipecotonitrile Formula: C22H22FN3O5 MolecularWeight: 427.425583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)N2CCC(CC2)(CC3=CC=C(C=C3)F)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)N2CCC(CC2)(CC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C22H22FN3O5/c1-30-20-12-18(26(28)29)6-7-19(20)31-14-21(27)25-10-8-22(15-24,9-11-25)13-16-2-4-17(23)5-3-16/h2-7,12H,8-11,13-14H2,1H3