N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine

Systemtic Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine Openeye Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine CAS Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine IUPAC Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]methyl-(4-nitrobenzylidene)amine Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CN=CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)CN=CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N2O2/c1-18-7-16-8-19(2,11-18)13-20(9-16,12-18)14-21-10-15-3-5-17(6-4-15)22(23)24/h3-6,10,16H,7-9,11-14H2,1-2H3/t16?,18-,19+,20?