PYR 41

CAS Registry Number®

418805-02-4
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CAS Name

PYR 41

Molecular Formula

C17H13N3O7

Molecular Mass

371.30

Cite this Page

PYR 41.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=418805-02-4 (retrieved 2024-04-29) (CAS RN: 418805-02-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H13N3O7/c1-2-26-17(23)10-3-5-11(6-4-10)19-16(22)13(15(21)18-19)9-12-7-8-14(27-12)20(24)25/h3-9H,2H2,1H3,(H,18,21)

InChIKey

InChIKey=ARGIPZKQJGFSGQ-UHFFFAOYSA-N

SMILES

O=C1N(NC(=O)C1=CC=2OC(N(=O)=O)=CC2)C3=CC=C(C(OCC)=O)C=C3

Canonical SMILES

O=C(OCC)C1=CC=C(C=C1)N2NC(=O)C(=CC=3OC(=CC3)N(=O)=O)C2=O

Other Names for this Substance

  • Benzoic acid, 4-[4-[(5-nitro-2-furanyl)methylene]-3,5-dioxo-1-pyrazolidinyl]-, ethyl ester
  • PYR 41

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