dodecyl 2-[1-(3,5-dinitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-(3,5-dinitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(3,5-dinitrobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3,5-dinitrophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(3,5-dinitrobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3,5-dinitrobenzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C25H36N4O8 MolecularWeight: 520.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H36N4O8/c1-2-3-4-5-6-7-8-9-10-11-14-37-23(30)18-22-24(31)26-12-13-27(22)25(32)19-15-20(28(33)34)17-21(16-19)29(35)36/h15-17,22H,2-14,18H2,1H3,(H,26,31)