ethyl 5-azanyl-4-cyano-1-(4-iodophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-1-(4-iodophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-amino-4-cyano-1-(4-iodophenyl)pyrazole-3-carboxylate CAS Name: 5-amino-4-cyano-1-(4-iodophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-1-(4-iodophenyl)pyrazole-3-carboxylate Traditional Name: 5-amino-4-cyano-1-(4-iodophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C13H11IN4O2 MolecularWeight: 382.15651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C#N)N)C2=CC=C(C=C2)I

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C#N)N)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H11IN4O2/c1-2-20-13(19)11-10(7-15)12(16)18(17-11)9-5-3-8(14)4-6-9/h3-6H,2,16H2,1H3