tert-butyl 5,7-dinitro-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 5,7-dinitro-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 5,7-dinitroindoline-1-carboxylate CAS Name: 5,7-dinitro-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5,7-dinitro-2,3-dihydroindole-1-carboxylate Traditional Name: 5,7-dinitroindoline-1-carboxylic acid tert-butyl ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-13(2,3)22-12(17)14-5-4-8-6-9(15(18)19)7-10(11(8)14)16(20)21/h6-7H,4-5H2,1-3H3