ditert-butyl 2-(3-nitrothiophen-2-yl)propanedioate

Systemtic Name: ditert-butyl 2-(3-nitrothiophen-2-yl)propanedioate Openeye Name: ditert-butyl 2-(3-nitro-2-thienyl)propanedioate CAS Name: 2-(3-nitro-2-thiophenyl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(3-nitrothiophen-2-yl)propanedioate Traditional Name: 2-(3-nitro-2-thienyl)malonic acid ditert-butyl ester Formula: C15H21NO6S MolecularWeight: 343.39534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C=CS1)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C=CS1)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C15H21NO6S/c1-14(2,3)21-12(17)10(13(18)22-15(4,5)6)11-9(16(19)20)7-8-23-11/h7-8,10H,1-6H3