1-(phenylmethyl)-3-propyl-pyrazole-4-carboxylate

Systemtic Name: 1-(phenylmethyl)-3-propyl-pyrazole-4-carboxylate Openeye Name: 1-benzyl-3-propyl-pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-propyl-4-pyrazolecarboxylate IUPAC Name: 1-benzyl-3-propylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-propyl-pyrazole-4-carboxylate Formula: C14H15N2O2- MolecularWeight: 243.2811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C=C1C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN(C=C1C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c1-2-6-13-12(14(17)18)10-16(15-13)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,17,18)/p-1