4-[(4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-nitropyrazol-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-nitro-1-pyrazolyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-nitropyrazol-1-yl)methyl]thiazole-2-carboxylic acid Formula: C8H6N4O4S MolecularWeight: 254.22264

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CC2=CSC(=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NN1CC2=CSC(=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H6N4O4S/c13-8(14)7-10-5(4-17-7)2-11-3-6(1-9-11)12(15)16/h1,3-4H,2H2,(H,13,14)