N-docosyl-5-nitro-pyridin-2-amine

Systemtic Name: N-docosyl-5-nitro-pyridin-2-amine Openeye Name: N-docosyl-5-nitro-pyridin-2-amine CAS Name: N-docosyl-5-nitro-2-pyridinamine IUPAC Name: N-docosyl-5-nitropyridin-2-amine Traditional Name: behenyl-(5-nitro-2-pyridyl)amine Formula: C27H49N3O2 MolecularWeight: 447.69686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNC1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCNC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C27H49N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-27-23-22-26(25-29-27)30(31)32/h22-23,25H,2-21,24H2,1H3,(H,28,29)