ethyl 4-methanoyl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-methanoyl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-formyl-1-(4-isopropylphenyl)pyrazole-3-carboxylate CAS Name: 4-formyl-1-(4-propan-2-ylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-formyl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate Traditional Name: 4-formyl-1-p-cumenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C=C1C=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H18N2O3/c1-4-21-16(20)15-13(10-19)9-18(17-15)14-7-5-12(6-8-14)11(2)3/h5-11H,4H2,1-3H3