2-Chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]benzonitrile

CAS Registry Number®

627530-84-1

CAS Name

2-Chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]benzonitrile

Molecular Formula

C14H12ClN3O3

Molecular Mass

305.72

Cite this Page

2-Chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=627530-84-1 (retrieved 2024-11-22) (CAS RN: 627530-84-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1

InChIKey

InChIKey=KEJORAMIZFOODM-PWSUYJOCSA-N

SMILES

O=C1N(C(=O)N2[C@]1([C@H](O)CC2)[H])C3=C(C)C(Cl)=C(C#N)C=C3

Canonical SMILES

N#CC1=CC=C(C(=C1Cl)C)N2C(=O)N3CCC(O)C3C2=O

Other Names for this Substance

  • Benzonitrile, 2-chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-
  • 2-Chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]benzonitrile
  • BMS 564929
  • PS 178990