3-(Nitroxymethyl)phenyl 2-acetoxybenzoate

CAS Registry Number®

175033-36-0
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CAS Name

3-(Nitroxymethyl)phenyl 2-acetoxybenzoate

Molecular Formula

C16H13NO7

Molecular Mass

331.28

Cite this Page

3-(Nitroxymethyl)phenyl 2-acetoxybenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=175033-36-0 (retrieved 2024-05-21) (CAS RN: 175033-36-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=IOJUJUOXKXMJNF-UHFFFAOYSA-N

SMILES

O(C(C)=O)C1=C(C(OC2=CC(CON(=O)=O)=CC=C2)=O)C=CC=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 2-(acetyloxy)-, 3-[(nitrooxy)methyl]phenyl ester
  • NCX 4016
  • 3-(Nitroxymethyl)phenyl 2-acetoxybenzoate
  • 2-Acetoxybenzoic acid 3-nitrooxymethylphenyl ester
  • Nitroaspirin

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Deleted or Replaced CAS Registry Numbers

190442-10-5

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