3-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]-2-ethyl-pyran-4-one

Systemtic Name: 3-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]-2-ethyl-pyran-4-one Openeye Name: 3-[2,4-dinitro-5-(1-piperidylamino)phenoxy]-2-ethyl-pyran-4-one CAS Name: 3-[2,4-dinitro-5-(1-piperidinylamino)phenoxy]-2-ethyl-4-pyranone IUPAC Name: 3-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]-2-ethylpyran-4-one Traditional Name: 3-[2,4-dinitro-5-(piperidinoamino)phenoxy]-2-ethyl-pyran-4-one Formula: C18H20N4O7 MolecularWeight: 404.374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=CO1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=O)C=CO1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7/c1-2-16-18(15(23)6-9-28-16)29-17-10-12(19-20-7-4-3-5-8-20)13(21(24)25)11-14(17)22(26)27/h6,9-11,19H,2-5,7-8H2,1H3