O3-tert-butyl O1-ethyl 2-(2,4-dinitronaphthalen-1-yl)propanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-(2,4-dinitronaphthalen-1-yl)propanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-(2,4-dinitro-1-naphthyl)propanedioate CAS Name: 2-(2,4-dinitro-1-naphthalenyl)propanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-(2,4-dinitronaphthalen-1-yl)propanedioate Traditional Name: 2-(2,4-dinitro-1-naphthyl)malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C19H20N2O8/c1-5-28-17(22)16(18(23)29-19(2,3)4)15-12-9-7-6-8-11(12)13(20(24)25)10-14(15)21(26)27/h6-10,16H,5H2,1-4H3