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

Systemtic Name: N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenyl-heptyl]-1-phenyl-methanimine Openeye Name: N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenyl-heptyl]-1-phenyl-methanimine CAS Name: N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenylheptyl]-1-phenylmethanimine IUPAC Name: N-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenylheptyl]-1-phenylmethanimine Traditional Name: benzal-[(1S,2S)-5,5-dimethoxy-2-nitro-1-phenyl-heptyl]amine Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-4-22(27-2,28-3)16-15-20(24(25)26)21(19-13-9-6-10-14-19)23-17-18-11-7-5-8-12-18/h5-14,17,20-21H,4,15-16H2,1-3H3/t20-,21-/m0/s1