1,1-Dimethylethyl 7-fluoro-3,4-dihydro-6-nitro-2(1H)-isoquinolinecarboxylate

CAS Registry Number®

912846-67-4

CAS Name

1,1-Dimethylethyl 7-fluoro-3,4-dihydro-6-nitro-2(1H)-isoquinolinecarboxylate

Molecular Formula

C14H17FN2O4

Molecular Mass

296.29

Cite this Page

1,1-Dimethylethyl 7-fluoro-3,4-dihydro-6-nitro-2(1H)-isoquinolinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=912846-67-4 (retrieved 2024-11-28) (CAS RN: 912846-67-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H17FN2O4/c1-14(2,3)21-13(18)16-5-4-9-7-12(17(19)20)11(15)6-10(9)8-16/h6-7H,4-5,8H2,1-3H3

InChIKey

InChIKey=IVCDFWVDZIWGOZ-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C2C(CN(C(OC(C)(C)C)=O)CC2)=CC1F

Canonical SMILES

O=C(OC(C)(C)C)N1CC2=CC(F)=C(C=C2CC1)N(=O)=O

Other Names for this Substance

  • 2(1H)-Isoquinolinecarboxylic acid, 7-fluoro-3,4-dihydro-6-nitro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 7-fluoro-3,4-dihydro-6-nitro-2(1H)-isoquinolinecarboxylate

CAS INSIGHTSTM
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