N-[5-[2,5-bis(chloranyl)phenoxy]-2,4-dinitro-phenyl]cyclooctanamine

Systemtic Name: N-[5-[2,5-bis(chloranyl)phenoxy]-2,4-dinitro-phenyl]cyclooctanamine Openeye Name: N-[5-(2,5-dichlorophenoxy)-2,4-dinitro-phenyl]cyclooctanamine CAS Name: N-[5-(2,5-dichlorophenoxy)-2,4-dinitrophenyl]cyclooctanamine IUPAC Name: N-[5-(2,5-dichlorophenoxy)-2,4-dinitrophenyl]cyclooctanamine Traditional Name: cyclooctyl-[5-(2,5-dichlorophenoxy)-2,4-dinitro-phenyl]amine Formula: C20H21Cl2N3O5 MolecularWeight: 454.30384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O5/c21-13-8-9-15(22)19(10-13)30-20-11-16(17(24(26)27)12-18(20)25(28)29)23-14-6-4-2-1-3-5-7-14/h8-12,14,23H,1-7H2