N3,N3-dimethyl-N1-(4-nitrophenyl)icosane-1,3-diamine

Systemtic Name: N3,N3-dimethyl-N1-(4-nitrophenyl)icosane-1,3-diamine Openeye Name: N3,N3-dimethyl-N1-(4-nitrophenyl)icosane-1,3-diamine CAS Name: N3,N3-dimethyl-N1-(4-nitrophenyl)eicosane-1,3-diamine IUPAC Name: 3-N,3-N-dimethyl-1-N-(4-nitrophenyl)icosane-1,3-diamine Traditional Name: dimethyl-[1-[2-(4-nitroanilino)ethyl]octadecyl]amine Formula: C28H51N3O2 MolecularWeight: 461.72344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCNC1=CC=C(C=C1)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCNC1=CC=C(C=C1)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C28H51N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30(2)3)24-25-29-26-20-22-28(23-21-26)31(32)33/h20-23,27,29H,4-19,24-25H2,1-3H3