5-[2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-nitro-benzenecarbonitrile

Systemtic Name: 5-[2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-nitro-benzenecarbonitrile Openeye Name: 5-[2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-nitro-benzonitrile CAS Name: 5-[2-[(4-chlorophenyl)methyl]-1-pyrrolidinyl]-2-nitrobenzonitrile IUPAC Name: 5-[2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-nitrobenzonitrile Traditional Name: 5-[2-(4-chlorobenzyl)pyrrolidino]-2-nitro-benzonitrile Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(N(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2/c19-15-5-3-13(4-6-15)10-16-2-1-9-21(16)17-7-8-18(22(23)24)14(11-17)12-20/h3-8,11,16H,1-2,9-10H2