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

Systemtic Name: butan-2-yl 2-[1-(2,4-dinitrophenyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(2,4-dinitrophenyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(2,4-dinitrophenyl)-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(2,4-dinitrophenyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2,4-dinitrophenyl)-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C16H20N4O7 MolecularWeight: 380.3526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O7/c1-3-10(2)27-15(21)9-14-16(22)17-6-7-18(14)12-5-4-11(19(23)24)8-13(12)20(25)26/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,17,22)