4-tert-butyl-N-[3-(1-methylpiperidin-3-yl)phenyl]-2-nitro-aniline

Systemtic Name: 4-tert-butyl-N-[3-(1-methylpiperidin-3-yl)phenyl]-2-nitro-aniline Openeye Name: 4-tert-butyl-N-[3-(1-methyl-3-piperidyl)phenyl]-2-nitro-aniline CAS Name: 4-tert-butyl-N-[3-(1-methyl-3-piperidinyl)phenyl]-2-nitroaniline IUPAC Name: 4-tert-butyl-N-[3-(1-methylpiperidin-3-yl)phenyl]-2-nitroaniline Traditional Name: (4-tert-butyl-2-nitro-phenyl)-[3-(1-methyl-3-piperidyl)phenyl]amine Formula: C22H29N3O2 MolecularWeight: 367.48456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C3CCCN(C3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C3CCCN(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O2/c1-22(2,3)18-10-11-20(21(14-18)25(26)27)23-19-9-5-7-16(13-19)17-8-6-12-24(4)15-17/h5,7,9-11,13-14,17,23H,6,8,12,15H2,1-4H3