methyl 3-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl 3-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl 3-cyano-2-(2-methoxy-2-oxo-ethyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 3-cyano-2-(2-methoxy-2-oxoethyl)-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-(2-methoxy-2-oxoethyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 5-cyano-1-(2-keto-2-methoxy-ethyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(CC(=N1)C(=O)OC)C#N

Isomeric SMILES

COC(=O)CN1C(CC(=N1)C(=O)OC)C#N

InChI

InChI=1S/C9H11N3O4/c1-15-8(13)5-12-6(4-10)3-7(11-12)9(14)16-2/h6H,3,5H2,1-2H3