4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate

CAS Registry Number®

287118-97-2

CAS Name

4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate

Molecular Formula

C16H13NO7

Molecular Mass

331.28

Cite this Page

4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=287118-97-2 (retrieved 2024-11-22) (CAS RN: 287118-97-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84.6-86.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H13NO7/c1-11(18)23-15-5-3-2-4-14(15)16(19)24-13-8-6-12(7-9-13)10-22-17(20)21/h2-9H,10H2,1H3

InChIKey

InChIKey=CTHNKWFUDCMLIQ-UHFFFAOYSA-N

SMILES

C(OC1=CC=C(CON(=O)=O)C=C1)(=O)C2=C(OC(C)=O)C=CC=C2

Canonical SMILES

O=C(OC1=CC=C(C=C1)CON(=O)=O)C=2C=CC=CC2OC(=O)C

Other Names for this Substance

  • Benzoic acid, 2-(acetyloxy)-, 4-[(nitrooxy)methyl]phenyl ester
  • 4-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate
  • NO-aspirin
  • NCX 4040
  • 2-(Acetyloxy)benzoic acid 4-(nitroxymethyl)phenyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration