(4-ethoxycarbonylphenyl) 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: (4-ethoxycarbonylphenyl) 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: (4-ethoxycarbonylphenyl) 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid (4-carbethoxyphenyl) ester Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C16H18N2O4/c1-3-5-12-10-14(18-17-12)16(20)22-13-8-6-11(7-9-13)15(19)21-4-2/h6-10H,3-5H2,1-2H3,(H,17,18)