4-[[(3-azanyl-2,2-dimethyl-propyl)-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(3-azanyl-2,2-dimethyl-propyl)-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(3-amino-2,2-dimethyl-propyl)-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[(3-amino-2,2-dimethylpropyl)-[(4,5-dimethoxy-2-nitrophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[(3-amino-2,2-dimethylpropyl)-[(4,5-dimethoxy-2-nitrophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[(3-amino-2,2-dimethyl-propyl)-(4,5-dimethoxy-2-nitro-benzyl)amino]methyl]benzonitrile Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC=C(C=C1)C#N)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)(CN)CN(CC1=CC=C(C=C1)C#N)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H28N4O4/c1-22(2,14-24)15-25(12-17-7-5-16(11-23)6-8-17)13-18-9-20(29-3)21(30-4)10-19(18)26(27)28/h5-10H,12-15,24H2,1-4H3