ethyl 3-butyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-butyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-butyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-butyl-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3-butyl-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C=C1C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN(C=C1C(=O)OCC)C2=CC=CC=C2

InChI

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