ethyl 5-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-oxo-2-(3-pyridylmethyl)-1H-pyrazole-4-carboxylate CAS Name: 5-oxo-2-(3-pyridinylmethyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-2-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxylate Traditional Name: 3-keto-1-(3-pyridylmethyl)-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(NC1=O)CC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN(NC1=O)CC2=CN=CC=C2

InChI

InChI=1S/C12H13N3O3/c1-2-18-12(17)10-8-15(14-11(10)16)7-9-4-3-5-13-6-9/h3-6,8H,2,7H2,1H3,(H,14,16)