ethyl 5-butyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-butyl-2-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-butyl-2-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN(C(=C1)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2/c1-3-5-9-13-12-15(16(19)20-4-2)18(17-13)14-10-7-6-8-11-14/h6-8,10-12H,3-5,9H2,1-2H3