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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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