tert-butyl 3-iodanyl-5-nitro-indole-1-carboxylate

Systemtic Name: tert-butyl 3-iodanyl-5-nitro-indole-1-carboxylate Openeye Name: tert-butyl 3-iodo-5-nitro-indole-1-carboxylate CAS Name: 3-iodo-5-nitro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-iodo-5-nitroindole-1-carboxylate Traditional Name: 3-iodo-5-nitro-indole-1-carboxylic acid tert-butyl ester Formula: C13H13IN2O4 MolecularWeight: 388.15779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13IN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-6-8(16(18)19)4-5-11(9)15/h4-7H,1-3H3