ethyl 4-ethanoyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-acetyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylate CAS Name: 4-acetyl-1-(4-ethoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylate Traditional Name: 4-acetyl-1-p-phenetyl-pyrazole-3-carboxylic acid ethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)OCC)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)OCC)C(=O)C

InChI

InChI=1S/C16H18N2O4/c1-4-21-13-8-6-12(7-9-13)18-10-14(11(3)19)15(17-18)16(20)22-5-2/h6-10H,4-5H2,1-3H3