methyl 1-ethanoyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-ethanoyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate Openeye Name: methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate CAS Name: 1-acetyl-3-methyl-5-(phenoxymethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate Traditional Name: 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylic acid methyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC)COC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC)COC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C15H16N2O4/c1-10-14(15(19)20-3)13(17(16-10)11(2)18)9-21-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3