N-docosyl-N-methyl-3-nitro-2H-pyridin-1-amine

Systemtic Name: N-docosyl-N-methyl-3-nitro-2H-pyridin-1-amine Openeye Name: N-docosyl-N-methyl-3-nitro-2H-pyridin-1-amine CAS Name: N-docosyl-N-methyl-3-nitro-2H-pyridin-1-amine IUPAC Name: N-docosyl-N-methyl-3-nitro-2H-pyridin-1-amine Traditional Name: behenyl-methyl-(3-nitro-2H-pyridin-1-yl)amine Formula: C28H53N3O2 MolecularWeight: 463.73932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCN(C)N1CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCN(C)N1CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C28H53N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29(2)30-26-23-24-28(27-30)31(32)33/h23-24,26H,3-22,25,27H2,1-2H3