methyl 1,5-dimethyl-3-(3-phenoxyprop-1-ynyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1,5-dimethyl-3-(3-phenoxyprop-1-ynyl)pyrazole-4-carboxylate Openeye Name: methyl 1,5-dimethyl-3-(3-phenoxyprop-1-ynyl)pyrazole-4-carboxylate CAS Name: 1,5-dimethyl-3-(3-phenoxyprop-1-ynyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1,5-dimethyl-3-(3-phenoxyprop-1-ynyl)pyrazole-4-carboxylate Traditional Name: 1,5-dimethyl-3-(3-phenoxyprop-1-ynyl)pyrazole-4-carboxylic acid methyl ester Formula: C16H16N2O3 MolecularWeight: 284.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C#CCOC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C#CCOC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H16N2O3/c1-12-15(16(19)20-3)14(17-18(12)2)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9H,11H2,1-3H3