methyl 5-azanyl-4-cyano-pyrazole-1-carboxylate

Systemtic Name: methyl 5-azanyl-4-cyano-pyrazole-1-carboxylate Openeye Name: methyl 5-amino-4-cyano-pyrazole-1-carboxylate CAS Name: 5-amino-4-cyano-1-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-cyanopyrazole-1-carboxylate Traditional Name: 5-amino-4-cyano-pyrazole-1-carboxylic acid methyl ester Formula: C6H6N4O2 MolecularWeight: 166.13744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=C(C=N1)C#N)N

Isomeric SMILES

COC(=O)N1C(=C(C=N1)C#N)N

InChI

InChI=1S/C6H6N4O2/c1-12-6(11)10-5(8)4(2-7)3-9-10/h3H,8H2,1H3