2-[[4-Amino-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-5-yl]amino]benzoic acid

CAS Registry Number®

1197237-42-5

CAS Name

2-[[4-Amino-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-5-yl]amino]benzoic acid

Molecular Formula

C17H16N4O5S

Molecular Mass

388.40

Cite this Page

2-[[4-Amino-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-5-yl]amino]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1197237-42-5 (retrieved 2024-11-24) (CAS RN: 1197237-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H16N4O5S/c1-10-15(18)16(19-14-5-3-2-4-13(14)17(22)23)21(20-10)11-6-8-12(9-7-11)27(24,25)26/h2-9,19H,18H2,1H3,(H,22,23)(H,24,25,26)

InChIKey

InChIKey=NDVGTABVAPAGJU-UHFFFAOYSA-N

SMILES

N(C=1N(N=C(C)C1N)C2=CC=C(S(=O)(=O)O)C=C2)C3=C(C(O)=O)C=CC=C3

Canonical SMILES

O=C(O)C=1C=CC=CC1NC2=C(N)C(=NN2C3=CC=C(C=C3)S(=O)(=O)O)C

Other Names for this Substance

  • Benzoic acid, 2-[[4-amino-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-5-yl]amino]-
  • 2-[[4-Amino-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-5-yl]amino]benzoic acid

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