1-[1-(4-chloranyl-2,6-dinitro-phenyl)propylamino]propan-2-ol

Systemtic Name: 1-[1-(4-chloranyl-2,6-dinitro-phenyl)propylamino]propan-2-ol Openeye Name: 1-[1-(4-chloro-2,6-dinitro-phenyl)propylamino]propan-2-ol CAS Name: 1-[1-(4-chloro-2,6-dinitrophenyl)propylamino]-2-propanol IUPAC Name: 1-[1-(4-chloro-2,6-dinitrophenyl)propylamino]propan-2-ol Traditional Name: 1-[1-(4-chloro-2,6-dinitro-phenyl)propylamino]propan-2-ol Formula: C12H16ClN3O5 MolecularWeight: 317.72554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-])NCC(C)O

Isomeric SMILES

CCC(C1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-])NCC(C)O

InChI

InChI=1S/C12H16ClN3O5/c1-3-9(14-6-7(2)17)12-10(15(18)19)4-8(13)5-11(12)16(20)21/h4-5,7,9,14,17H,3,6H2,1-2H3