(2,6-ditert-butyl-4-methoxy-phenyl) 1-nitrocyclopropane-1-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 1-nitrocyclopropane-1-carboxylate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 1-nitrocyclopropanecarboxylate CAS Name: 1-nitro-1-cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 1-nitrocyclopropane-1-carboxylate Traditional Name: 1-nitrocyclopropanecarboxylic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2(CC2)[N+](=O)[O-])C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2(CC2)[N+](=O)[O-])C(C)(C)C)OC

InChI

InChI=1S/C19H27NO5/c1-17(2,3)13-10-12(24-7)11-14(18(4,5)6)15(13)25-16(21)19(8-9-19)20(22)23/h10-11H,8-9H2,1-7H3