N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenyl-hexyl]-1-phenyl-methanimine

Systemtic Name: N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenyl-hexyl]-1-phenyl-methanimine Openeye Name: N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenyl-hexyl]-1-phenyl-methanimine CAS Name: N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenylhexyl]-1-phenylmethanimine IUPAC Name: N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenylhexyl]-1-phenylmethanimine Traditional Name: benzal-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenyl-hexyl]amine Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C1=CC=CC=C1)N=CC2=CC=CC=C2)[N+](=O)[O-])(OC)OC

Isomeric SMILES

CC(CC[C@@H]([C@H](C1=CC=CC=C1)N=CC2=CC=CC=C2)[N+](=O)[O-])(OC)OC

InChI

InChI=1S/C21H26N2O4/c1-21(26-2,27-3)15-14-19(23(24)25)20(18-12-8-5-9-13-18)22-16-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3/t19-,20-/m0/s1