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

Systemtic Name: ditert-butyl 2-(3,5-dinitropyridin-2-yl)-2-methyl-propanedioate Openeye Name: ditert-butyl 2-(3,5-dinitro-2-pyridyl)-2-methyl-propanedioate CAS Name: 2-(3,5-dinitro-2-pyridinyl)-2-methylpropanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(3,5-dinitropyridin-2-yl)-2-methylpropanedioate Traditional Name: 2-(3,5-dinitro-2-pyridyl)-2-methyl-malonic acid ditert-butyl ester Formula: C17H23N3O8 MolecularWeight: 397.37982

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H23N3O8/c1-15(2,3)27-13(21)17(7,14(22)28-16(4,5)6)12-11(20(25)26)8-10(9-18-12)19(23)24/h8-9H,1-7H3