CAS Registry Number®

1013764-36-7

Molecular Formula

C17H18N2O4

Molecular Mass

314.34

Cite this Page

.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1013764-36-7 (retrieved 2024-11-24) (CAS RN: 1013764-36-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H18N2O4/c1-11-8-12(2)19(18-11)14-9-16(20)23-15(14)10-22-17(21)13-6-4-3-5-7-13/h3-8,14-15H,9-10H2,1-2H3/t14-,15+/m0/s1

InChIKey

InChIKey=OPUXBKGGQYWSDV-LSDHHAIUSA-N

SMILES

C(OC(=O)C1=CC=CC=C1)[C@@H]2[C@H](CC(=O)O2)N3N=C(C)C=C3C

Canonical SMILES

O=C(OCC1OC(=O)CC1N2N=C(C=C2C)C)C=3C=CC=CC3

Other Names for this Substance

  • (4s,5s)-5-((Benzoyloxy)methyl)-4,5-dihydro-4-(3,5-dimethyl-1H-pyrazol-1-yl)furan-2(3H)-one
  • [(2S,3S)-3-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-oxotetrahydro-2-furanyl]methyl benzoate
  • [(2S,3S)-3-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-oxotetrahydrofuran-2-yl]methyl benzoate
  • [(2S,3S)-3-(3,5-Dimethylpyrazol-1-yl)-5-oxooxolan-2-yl]methyl benzoate

CAS INSIGHTSTM
Hourglass and a clock