1-(4-methyl-2,3-dinitro-phenoxy)-3-(propylamino)propan-2-ol

Systemtic Name: 1-(4-methyl-2,3-dinitro-phenoxy)-3-(propylamino)propan-2-ol Openeye Name: 1-(4-methyl-2,3-dinitro-phenoxy)-3-(propylamino)propan-2-ol CAS Name: 1-(4-methyl-2,3-dinitrophenoxy)-3-(propylamino)-2-propanol IUPAC Name: 1-(4-methyl-2,3-dinitrophenoxy)-3-(propylamino)propan-2-ol Traditional Name: 1-(4-methyl-2,3-dinitro-phenoxy)-3-(propylamino)propan-2-ol Formula: C13H19N3O6 MolecularWeight: 313.30646

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC1=C(C(=C(C=C1)C)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCCNCC(COC1=C(C(=C(C=C1)C)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C13H19N3O6/c1-3-6-14-7-10(17)8-22-11-5-4-9(2)12(15(18)19)13(11)16(20)21/h4-5,10,14,17H,3,6-8H2,1-2H3