[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H13N3O3 MolecularWeight: 283.28202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C15H13N3O3/c1-2-8-16-14(19)10-21-15(20)13-9-12(17-18-13)11-6-4-3-5-7-11/h1,3-7,9H,8,10H2,(H,16,19)(H,17,18)