ditert-butyl 2-chloranyl-2-(3,5-dinitropyridin-2-yl)propanedioate

Systemtic Name: ditert-butyl 2-chloranyl-2-(3,5-dinitropyridin-2-yl)propanedioate Openeye Name: ditert-butyl 2-chloro-2-(3,5-dinitro-2-pyridyl)propanedioate CAS Name: 2-chloro-2-(3,5-dinitro-2-pyridinyl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-chloro-2-(3,5-dinitropyridin-2-yl)propanedioate Traditional Name: 2-chloro-2-(3,5-dinitro-2-pyridyl)malonic acid ditert-butyl ester Formula: C16H20ClN3O8 MolecularWeight: 417.7983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C=C(C=N1)[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C=C(C=N1)[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C16H20ClN3O8/c1-14(2,3)27-12(21)16(17,13(22)28-15(4,5)6)11-10(20(25)26)7-9(8-18-11)19(23)24/h7-8H,1-6H3