N-[5-(5-chloranylpyridin-3-yl)oxy-2,4-dinitro-phenyl]cyclooctanamine

Systemtic Name: N-[5-(5-chloranylpyridin-3-yl)oxy-2,4-dinitro-phenyl]cyclooctanamine Openeye Name: N-[5-[(5-chloro-3-pyridyl)oxy]-2,4-dinitro-phenyl]cyclooctanamine CAS Name: N-[5-[(5-chloro-3-pyridinyl)oxy]-2,4-dinitrophenyl]cyclooctanamine IUPAC Name: N-[5-(5-chloropyridin-3-yl)oxy-2,4-dinitrophenyl]cyclooctanamine Traditional Name: [5-[(5-chloro-3-pyridyl)oxy]-2,4-dinitro-phenyl]-cyclooctyl-amine Formula: C19H21ClN4O5 MolecularWeight: 420.84684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=CN=C3)Cl

Isomeric SMILES

C1CCCC(CCC1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OC3=CC(=CN=C3)Cl

InChI

InChI=1S/C19H21ClN4O5/c20-13-8-15(12-21-11-13)29-19-9-16(17(23(25)26)10-18(19)24(27)28)22-14-6-4-2-1-3-5-7-14/h8-12,14,22H,1-7H2