2-[[2-(1H-Imidazol-5-yl)ethyl]amino]-5-nitrobenzoic acid

CAS Registry Number®

890095-67-7
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CAS Name

2-[[2-(1H-Imidazol-5-yl)ethyl]amino]-5-nitrobenzoic acid

Molecular Formula

C12H12N4O4

Molecular Mass

276.25

Cite this Page

2-[[2-(1H-Imidazol-5-yl)ethyl]amino]-5-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=890095-67-7 (retrieved 2024-08-22) (CAS RN: 890095-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12N4O4/c17-12(18)10-5-9(16(19)20)1-2-11(10)14-4-3-8-6-13-7-15-8/h1-2,5-7,14H,3-4H2,(H,13,15)(H,17,18)

InChIKey

InChIKey=UPIZWJWISGSJLO-UHFFFAOYSA-N

SMILES

N(CCC1=CN=CN1)C2=C(C(O)=O)C=C(N(=O)=O)C=C2

Canonical SMILES

O=C(O)C1=CC(=CC=C1NCCC2=CN=CN2)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-[[2-(1H-imidazol-5-yl)ethyl]amino]-5-nitro-
  • 2-[[2-(1H-Imidazol-5-yl)ethyl]amino]-5-nitrobenzoic acid