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

Systemtic Name: ditert-butyl 2-(3,5-dinitropyridin-2-yl)propanedioate Openeye Name: ditert-butyl 2-(3,5-dinitro-2-pyridyl)propanedioate CAS Name: 2-(3,5-dinitro-2-pyridinyl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(3,5-dinitropyridin-2-yl)propanedioate Traditional Name: 2-(3,5-dinitro-2-pyridyl)malonic acid ditert-butyl ester Formula: C16H21N3O8 MolecularWeight: 383.35324

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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

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

InChI

InChI=1S/C16H21N3O8/c1-15(2,3)26-13(20)11(14(21)27-16(4,5)6)12-10(19(24)25)7-9(8-17-12)18(22)23/h7-8,11H,1-6H3