Methyl 4,5-di-1H-imidazol-1-yl-2-nitrobenzoate

CAS Registry Number®

1256633-33-6
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CAS Name

Methyl 4,5-di-1H-imidazol-1-yl-2-nitrobenzoate

Molecular Formula

C14H11N5O4

Molecular Mass

313.27

Cite this Page

Methyl 4,5-di-1H-imidazol-1-yl-2-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1256633-33-6 (retrieved 2024-07-08) (CAS RN: 1256633-33-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H11N5O4/c1-23-14(20)10-6-12(17-4-2-15-8-17)13(7-11(10)19(21)22)18-5-3-16-9-18/h2-9H,1H3

InChIKey

InChIKey=WDEMOZOGTCVBEX-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(=C(C=C1N(=O)=O)N2C=CN=C2)N3C=CN=C3

Canonical SMILES

O=C(OC)C=1C=C(C(=CC1N(=O)=O)N2C=NC=C2)N3C=NC=C3

Other Names for this Substance

  • Benzoic acid, 4,5-di-1H-imidazol-1-yl-2-nitro-, methyl ester
  • Methyl 4,5-di-1H-imidazol-1-yl-2-nitrobenzoate