tert-butyl 5-nitroindole-1-carboxylate

Systemtic Name: tert-butyl 5-nitroindole-1-carboxylate Openeye Name: tert-butyl 5-nitroindole-1-carboxylate CAS Name: 5-nitro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-nitroindole-1-carboxylate Traditional Name: 5-nitroindole-1-carboxylic acid tert-butyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)14-7-6-9-8-10(15(17)18)4-5-11(9)14/h4-8H,1-3H3