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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O7/c1-11(2)5-8-28-16(22)10-15-17(23)18-6-7-19(15)13-4-3-12(20(24)25)9-14(13)21(26)27/h3-4,9,11,15H,5-8,10H2,1-2H3,(H,18,23)