ditert-butyl 2-(2,4-dinitronaphthalen-1-yl)propanedioate

Systemtic Name: ditert-butyl 2-(2,4-dinitronaphthalen-1-yl)propanedioate Openeye Name: ditert-butyl 2-(2,4-dinitro-1-naphthyl)propanedioate CAS Name: 2-(2,4-dinitro-1-naphthalenyl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(2,4-dinitronaphthalen-1-yl)propanedioate Traditional Name: 2-(2,4-dinitro-1-naphthyl)malonic acid ditert-butyl ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C21H24N2O8/c1-20(2,3)30-18(24)17(19(25)31-21(4,5)6)16-13-10-8-7-9-12(13)14(22(26)27)11-15(16)23(28)29/h7-11,17H,1-6H3