(2,4,6-tritert-butylphenyl) 1-nitrocyclopropane-1-carboxylate

Systemtic Name: (2,4,6-tritert-butylphenyl) 1-nitrocyclopropane-1-carboxylate Openeye Name: (2,4,6-tritert-butylphenyl) 1-nitrocyclopropanecarboxylate CAS Name: 1-nitro-1-cyclopropanecarboxylic acid (2,4,6-tritert-butylphenyl) ester IUPAC Name: (2,4,6-tritert-butylphenyl) 1-nitrocyclopropane-1-carboxylate Traditional Name: 1-nitrocyclopropanecarboxylic acid (2,4,6-tritert-butylphenyl) ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C2(CC2)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C2(CC2)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C22H33NO4/c1-19(2,3)14-12-15(20(4,5)6)17(16(13-14)21(7,8)9)27-18(24)22(10-11-22)23(25)26/h12-13H,10-11H2,1-9H3