tert-butyl 5-nitro-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-nitro-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-nitroisoindoline-2-carboxylate CAS Name: 5-nitro-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-nitro-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-nitroisoindoline-2-carboxylic acid tert-butyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-13(2,3)19-12(16)14-7-9-4-5-11(15(17)18)6-10(9)8-14/h4-6H,7-8H2,1-3H3