5-azanyl-3-ethyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-azanyl-3-ethyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid CAS Name: 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid Traditional Name: 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid Formula: C12H10Cl3N3O2 MolecularWeight: 334.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)N)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)N)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C12H10Cl3N3O2/c1-2-8-9(12(19)20)11(16)18(17-8)10-6(14)3-5(13)4-7(10)15/h3-4H,2,16H2,1H3,(H,19,20)