1-(1,1-Dimethylethyl) 2-borono-5-nitro-1H-indole-1-carboxylate

CAS Registry Number®

1000068-67-6

CAS Name

1-(1,1-Dimethylethyl) 2-borono-5-nitro-1H-indole-1-carboxylate

Molecular Formula

C13H15BN2O6

Molecular Mass

306.08

Cite this Page

1-(1,1-Dimethylethyl) 2-borono-5-nitro-1H-indole-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000068-67-6 (retrieved 2024-12-19) (CAS RN: 1000068-67-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15BN2O6/c1-13(2,3)22-12(17)15-10-5-4-9(16(20)21)6-8(10)7-11(15)14(18)19/h4-7,18-19H,1-3H3

InChIKey

InChIKey=XALVHLSGJNNUFQ-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(N(=O)=O)=CC2

Canonical SMILES

O=C(OC(C)(C)C)N1C(=CC=2C=C(C=CC21)N(=O)=O)B(O)O

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 2-borono-5-nitro-, 1-(1,1-dimethylethyl) ester
  • 1-(1,1-Dimethylethyl) 2-borono-5-nitro-1H-indole-1-carboxylate

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