3-[[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(4-nitrophenyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]benzonitrile CAS Name: 3-[[(4-nitrophenyl)methyl-(2-oxolanylmethyl)amino]methyl]benzonitrile IUPAC Name: 3-[[(4-nitrophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]benzonitrile Traditional Name: 3-[[(4-nitrobenzyl)-(tetrahydrofurfuryl)amino]methyl]benzonitrile Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O3/c21-12-17-3-1-4-18(11-17)14-22(15-20-5-2-10-26-20)13-16-6-8-19(9-7-16)23(24)25/h1,3-4,6-9,11,20H,2,5,10,13-15H2