N-[4-(1-adamantyl)phenyl]-N-methyl-2-nitro-aniline

Systemtic Name: N-[4-(1-adamantyl)phenyl]-N-methyl-2-nitro-aniline Openeye Name: N-[4-(1-adamantyl)phenyl]-N-methyl-2-nitro-aniline CAS Name: N-[4-(1-adamantyl)phenyl]-N-methyl-2-nitroaniline IUPAC Name: N-[4-(1-adamantyl)phenyl]-N-methyl-2-nitroaniline Traditional Name: [4-(1-adamantyl)phenyl]-methyl-(2-nitrophenyl)amine Formula: C23H26N2O2 MolecularWeight: 362.46474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O2/c1-24(21-4-2-3-5-22(21)25(26)27)20-8-6-19(7-9-20)23-13-16-10-17(14-23)12-18(11-16)15-23/h2-9,16-18H,10-15H2,1H3