methyl 1-ethyl-4-[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]pyrazole-3-carboxylate

Systemtic Name: methyl 1-ethyl-4-[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]pyrazole-3-carboxylate Openeye Name: methyl 1-ethyl-4-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-4-[(4-iodo-1-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]pyrazole-3-carboxylic acid methyl ester Formula: C12H14IN5O3 MolecularWeight: 403.17573

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=NN(C=C2I)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=NN(C=C2I)C

InChI

InChI=1S/C12H14IN5O3/c1-4-18-6-8(10(16-18)12(20)21-3)14-11(19)9-7(13)5-17(2)15-9/h5-6H,4H2,1-3H3,(H,14,19)