methyl 5-azanyl-3-methyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC)N)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC)N)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

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