1-[2-(4-chloranyl-3-nitro-phenoxy)ethanoyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-(4-chloranyl-3-nitro-phenoxy)ethanoyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile Openeye Name: 1-[2-(4-chloro-3-nitro-phenoxy)acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile CAS Name: 1-[2-(4-chloro-3-nitrophenoxy)-1-oxoethyl]-4-[(4-fluorophenyl)methyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-(4-chloro-3-nitrophenoxy)acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile Traditional Name: 1-[2-(4-chloro-3-nitro-phenoxy)acetyl]-4-(4-fluorobenzyl)isonipecotonitrile Formula: C21H19ClFN3O4 MolecularWeight: 431.844663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClFN3O4/c22-18-6-5-17(11-19(18)26(28)29)30-13-20(27)25-9-7-21(14-24,8-10-25)12-15-1-3-16(23)4-2-15/h1-6,11H,7-10,12-13H2