[(Z)-1-pyridin-4-ylethylideneamino] 4-iodanyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [(Z)-1-pyridin-4-ylethylideneamino] 4-iodanyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [(Z)-1-(4-pyridyl)ethylideneamino] 4-iodo-1-methyl-pyrazole-3-carboxylate CAS Name: 4-iodo-1-methyl-3-pyrazolecarboxylic acid [(Z)-1-pyridin-4-ylethylideneamino] ester IUPAC Name: [(Z)-1-pyridin-4-ylethylideneamino] 4-iodo-1-methylpyrazole-3-carboxylate Traditional Name: 4-iodo-1-methyl-pyrazole-3-carboxylic acid [(Z)-1-(4-pyridyl)ethylideneamino] ester Formula: C12H11IN4O2 MolecularWeight: 370.14581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C1=NN(C=C1I)C)C2=CC=NC=C2

Isomeric SMILES

C/C(=N/OC(=O)C1=NN(C=C1I)C)/C2=CC=NC=C2

InChI

InChI=1S/C12H11IN4O2/c1-8(9-3-5-14-6-4-9)16-19-12(18)11-10(13)7-17(2)15-11/h3-7H,1-2H3/b16-8-