5-methyl-1-phenyl-3-propyl-pyrazole-4-carboxylate

Systemtic Name: 5-methyl-1-phenyl-3-propyl-pyrazole-4-carboxylate Openeye Name: 5-methyl-1-phenyl-3-propyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-3-propyl-4-pyrazolecarboxylate IUPAC Name: 5-methyl-1-phenyl-3-propylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-3-propyl-pyrazole-4-carboxylate Formula: C14H15N2O2- MolecularWeight: 243.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)[O-])C)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)[O-])C)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c1-3-7-12-13(14(17)18)10(2)16(15-12)11-8-5-4-6-9-11/h4-6,8-9H,3,7H2,1-2H3,(H,17,18)/p-1