pentyl 2-[1-(2,4-dinitrophenyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-(2,4-dinitrophenyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(2,4-dinitrophenyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(2,4-dinitrophenyl)-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(2,4-dinitrophenyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2,4-dinitrophenyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C17H22N4O7 MolecularWeight: 394.37918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O7/c1-2-3-4-9-28-16(22)11-15-17(23)18-7-8-19(15)13-6-5-12(20(24)25)10-14(13)21(26)27/h5-6,10,15H,2-4,7-9,11H2,1H3,(H,18,23)